N-[2-[(4-methoxyphenyl)amino]phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[2-[(4-methoxyphenyl)amino]phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[2-(4-methoxyanilino)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[2-(4-methoxyanilino)phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[2-(4-methoxyanilino)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[2-(p-anisidino)phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C23H21N5O2S/c1-30-19-12-10-18(11-13-19)26-20-4-2-3-5-21(20)27-22(29)17-8-6-16(7-9-17)14-31-23-24-15-25-28-23/h2-13,15,26H,14H2,1H3,(H,27,29)(H,24,25,28)