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

Systemtic Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropyl-acetamide CAS Name: N-(1-cyclohexenyl)-N-cyclopropyl-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide Traditional Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(cyclohexen-1-yl)-N-cyclopropyl-acetamide Formula: C26H28N4OS MolecularWeight: 444.59172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)N(C2CC2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(=CC1)N(C2CC2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N4OS/c31-25(29(23-16-17-23)21-12-6-2-7-13-21)19-32-26-28-27-24(18-20-10-4-1-5-11-20)30(26)22-14-8-3-9-15-22/h1,3-5,8-12,14-15,23H,2,6-7,13,16-19H2