N-[2-[5-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-4-methoxy-benzamide

Systemtic Name: N-[2-[5-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-4-methoxy-benzamide Openeye Name: N-[2-[4-allyl-5-[2-(2-ethoxyanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-4-methoxy-benzamide CAS Name: N-[2-[5-[[2-(2-ethoxyanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide IUPAC Name: N-[2-[5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide Traditional Name: N-[2-[4-allyl-5-[[2-keto-2-(o-phenetidino)ethyl]thio]-1,2,4-triazol-3-yl]ethyl]-4-methoxy-benzamide Formula: C25H29N5O4S MolecularWeight: 495.59386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CCNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CCNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H29N5O4S/c1-4-16-30-22(14-15-26-24(32)18-10-12-19(33-3)13-11-18)28-29-25(30)35-17-23(31)27-20-8-6-7-9-21(20)34-5-2/h4,6-13H,1,5,14-17H2,2-3H3,(H,26,32)(H,27,31)