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

Systemtic Name: N-cycloheptyl-2-[[5-(phenylmethyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptyl-acetamide CAS Name: N-cycloheptyl-2-[[5-(phenylmethyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cycloheptylacetamide Traditional Name: 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]-N-cycloheptyl-acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N5OS/c28-21(23-19-12-6-1-2-7-13-19)17-29-22-25-24-20(16-18-10-4-3-5-11-18)27(22)26-14-8-9-15-26/h3-5,8-11,14-15,19H,1-2,6-7,12-13,16-17H2,(H,23,28)