5-phenyl-2-[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 5-phenyl-2-[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-phenyl-thiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]amino]-5-phenyl-3-thiophenecarboxamide IUPAC Name: 5-phenyl-2-[[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[(4-allyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-5-phenyl-thiophene-3-carboxamide Formula: C18H17N5O2S2 MolecularWeight: 399.48988

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN=C1SCC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

C=CCN1C=NN=C1SCC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C18H17N5O2S2/c1-2-8-23-11-20-22-18(23)26-10-15(24)21-17-13(16(19)25)9-14(27-17)12-6-4-3-5-7-12/h2-7,9,11H,1,8,10H2,(H2,19,25)(H,21,24)