(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-[(4-methylphenyl)amino]-2-oxidanylidene-propanimidothioate

Systemtic Name: (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-[(4-methylphenyl)amino]-2-oxidanylidene-propanimidothioate Openeye Name: (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-(4-methylanilino)-2-oxo-propanimidothioate CAS Name: (1Z)-N-(4-methylanilino)-2-oxopropanimidothioic acid (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) ester IUPAC Name: (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-(4-methylanilino)-2-oxopropanimidothioate Traditional Name: (1Z)-2-keto-N-(p-toluidino)thiopropionimidic acid (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) ester Formula: C26H25N5OS MolecularWeight: 455.5746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NN=C(C(=O)C)SC2=NN=C(N2C3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N/N=C(/C(=O)C)\SC2=NN=C(N2C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H25N5OS/c1-19-13-16-22(17-14-19)27-29-25(20(2)32)33-26-30-28-24(18-15-21-9-5-3-6-10-21)31(26)23-11-7-4-8-12-23/h3-14,16-17,27H,15,18H2,1-2H3/b29-25-