3,4-bis(chloranyl)-N-[1-[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]benzamide

Systemtic Name: 3,4-bis(chloranyl)-N-[1-[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]benzamide Openeye Name: N-[1-[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3,4-dichloro-benzamide CAS Name: 3,4-dichloro-N-[1-[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-2-phenylethyl]benzamide IUPAC Name: N-[1-[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]-3,4-dichlorobenzamide Traditional Name: N-[1-[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-3,4-dichloro-benzamide Formula: C31H26Cl2N4OS MolecularWeight: 573.53534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C(CC4=CC=CC=C4)NC(=O)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C(CC4=CC=CC=C4)NC(=O)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C31H26Cl2N4OS/c1-21-12-15-25(16-13-21)37-29(35-36-31(37)39-20-23-10-6-3-7-11-23)28(18-22-8-4-2-5-9-22)34-30(38)24-14-17-26(32)27(33)19-24/h2-17,19,28H,18,20H2,1H3,(H,34,38)