2-[[4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexyl]methyl]-7-nitro-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[[4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexyl]methyl]-7-nitro-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[[4-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]cyclohexyl]methyl]-7-nitro-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[4-[[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]cyclohexyl]methyl]-7-nitro-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[[4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexyl]methyl]-7-nitro-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[[4-[[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]cyclohexyl]methyl]-7-nitro-3,4-dihydro-1H-isoquinoline Formula: C25H30N6O2S MolecularWeight: 478.6097

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2CCC(CC2)CN3CCC4=C(C3)C=C(C=C4)[N+](=O)[O-])C5=CN=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCC2CCC(CC2)CN3CCC4=C(C3)C=C(C=C4)[N+](=O)[O-])C5=CN=CC=C5

InChI

InChI=1S/C25H30N6O2S/c1-29-24(21-3-2-11-26-14-21)27-28-25(29)34-17-19-6-4-18(5-7-19)15-30-12-10-20-8-9-23(31(32)33)13-22(20)16-30/h2-3,8-9,11,13-14,18-19H,4-7,10,12,15-17H2,1H3