2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyldiazenylphenyl)ethanamide

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyldiazenylphenyl)ethanamide Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylazophenyl)acetamide CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenyldiazenylphenyl)acetamide IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyldiazenylphenyl)acetamide Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-phenylazophenyl)acetamide Formula: C26H24N6OS MolecularWeight: 468.57336

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)N=NC5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)N=NC5=CC=CC=C5

InChI

InChI=1S/C26H24N6OS/c33-24(27-21-13-15-23(16-14-21)29-28-22-9-5-2-6-10-22)18-34-26-31-30-25(20-11-12-20)32(26)17-19-7-3-1-4-8-19/h1-10,13-16,20H,11-12,17-18H2,(H,27,33)