2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 2-[(1-cyclohexyltetrazol-5-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NN=NN3C4CCCCC4

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NN=NN3C4CCCCC4

InChI

InChI=1S/C19H25N5OS/c1-14(18(25)23-12-11-15-7-5-6-8-16(15)13-23)26-19-20-21-22-24(19)17-9-3-2-4-10-17/h5-8,14,17H,2-4,9-13H2,1H3