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

Systemtic Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H28N4OS/c1-15(20(26)24-13-12-17-8-6-7-9-18(17)14-24)27-21-23-22-16(2)25(21)19-10-4-3-5-11-19/h6-9,15,19H,3-5,10-14H2,1-2H3