N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]triazole-4-carboxamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 1-benzyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]triazole-4-carboxamide Traditional Name: 1-benzyl-N-[4-[(2,5-dimethylphenyl)thio]phenyl]triazole-4-carboxamide Formula: C24H22N4OS MolecularWeight: 414.52268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3=CN(N=N3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3=CN(N=N3)CC4=CC=CC=C4

InChI

InChI=1S/C24H22N4OS/c1-17-8-9-18(2)23(14-17)30-21-12-10-20(11-13-21)25-24(29)22-16-28(27-26-22)15-19-6-4-3-5-7-19/h3-14,16H,15H2,1-2H3,(H,25,29)