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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropyl-ethanamide Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropyl-acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(1-cyclohexenyl)-N-cyclopropylacetamide IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide Traditional Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)N(C2CC2)C(=O)CSC3=NN=C(N3CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

C1CCC(=CC1)N(C2CC2)C(=O)CSC3=NN=C(N3CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C27H28N4O3S/c32-25(31(22-12-13-22)21-9-5-2-6-10-21)17-35-27-29-28-26(20-7-3-1-4-8-20)30(27)16-19-11-14-23-24(15-19)34-18-33-23/h1,3-4,7-9,11,14-15,22H,2,5-6,10,12-13,16-18H2