4-[(5-azanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[(5-azanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-N-phenyl-benzamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3C4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3C4=CC=CC=C4)N

InChI

InChI=1S/C22H19N5OS/c23-21-25-26-22(27(21)19-9-5-2-6-10-19)29-15-16-11-13-17(14-12-16)20(28)24-18-7-3-1-4-8-18/h1-14H,15H2,(H2,23,25)(H,24,28)