8-bromanyl-2-[(Z)-3-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]but-2-enyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 8-bromanyl-2-[(Z)-3-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]but-2-enyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 8-bromo-2-[(Z)-3-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]but-2-enyl]-3,4-dihydro-1H-isoquinoline CAS Name: 8-bromo-2-[(Z)-3-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]but-2-enyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 8-bromo-2-[(Z)-3-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]but-2-enyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 8-bromo-2-[(Z)-3-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]but-2-enyl]-3,4-dihydro-1H-isoquinoline Formula: C22H29BrN4S MolecularWeight: 461.46146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1CCC2=C(C1)C(=CC=C2)Br)SC3=NN=C(N3C)C4CCCCC4

Isomeric SMILES

C/C(=C/CN1CCC2=C(C1)C(=CC=C2)Br)/SC3=NN=C(N3C)C4CCCCC4

InChI

InChI=1S/C22H29BrN4S/c1-16(11-13-27-14-12-17-9-6-10-20(23)19(17)15-27)28-22-25-24-21(26(22)2)18-7-4-3-5-8-18/h6,9-11,18H,3-5,7-8,12-15H2,1-2H3/b16-11-