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

Systemtic Name: 2-[[4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile Openeye Name: 2-[[4-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]cyclohexyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile CAS Name: 2-[[4-[[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]cyclohexyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile IUPAC Name: 2-[[4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclohexyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile Traditional Name: 2-[[4-[[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]cyclohexyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile Formula: C26H30N6S MolecularWeight: 458.6216

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2CCC(CC2)CN3CCC4=C(C3)C=C(C=C4)C#N)C5=CN=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCC2CCC(CC2)CN3CCC4=C(C3)C=C(C=C4)C#N)C5=CN=CC=C5

InChI

InChI=1S/C26H30N6S/c1-31-25(23-3-2-11-28-15-23)29-30-26(31)33-18-20-6-4-19(5-7-20)16-32-12-10-22-9-8-21(14-27)13-24(22)17-32/h2-3,8-9,11,13,15,19-20H,4-7,10,12,16-18H2,1H3