3-[3-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]propyl]-1H-benzimidazol-2-one Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCCN2C3=CC=CC=C3NC2=O)C4CCCCC4

Isomeric SMILES

C=CCN1C(=NN=C1SCCCN2C3=CC=CC=C3NC2=O)C4CCCCC4

InChI

InChI=1S/C21H27N5OS/c1-2-13-26-19(16-9-4-3-5-10-16)23-24-21(26)28-15-8-14-25-18-12-7-6-11-17(18)22-20(25)27/h2,6-7,11-12,16H,1,3-5,8-10,13-15H2,(H,22,27)