2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide

Systemtic Name: 2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-[(1-cyclohexyl-5-tetrazolyl)thio]-N-[3-methyl-4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(1-cyclohexyltetrazol-5-yl)thio]-N-(3-methyl-4-pyrrolidino-phenyl)acetamide Formula: C20H28N6OS MolecularWeight: 400.54092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=NN2C3CCCCC3)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=NN2C3CCCCC3)N4CCCC4

InChI

InChI=1S/C20H28N6OS/c1-15-13-16(9-10-18(15)25-11-5-6-12-25)21-19(27)14-28-20-22-23-24-26(20)17-7-3-2-4-8-17/h9-10,13,17H,2-8,11-12,14H2,1H3,(H,21,27)