N-[4-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[4-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[4-[4-allyl-5-(2-anilino-2-oxo-ethyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[4-[5-[(2-anilino-2-oxoethyl)thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[4-[5-(2-anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[4-[4-allyl-5-[(2-anilino-2-keto-ethyl)thio]-1,2,4-triazol-3-yl]phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C28H27N5O2S2 MolecularWeight: 529.67628

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CSC5=C4CCCC5

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CSC5=C4CCCC5

InChI

InChI=1S/C28H27N5O2S2/c1-2-16-33-26(31-32-28(33)37-18-25(34)29-20-8-4-3-5-9-20)19-12-14-21(15-13-19)30-27(35)23-17-36-24-11-7-6-10-22(23)24/h2-5,8-9,12-15,17H,1,6-7,10-11,16,18H2,(H,29,34)(H,30,35)