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

Systemtic Name: 2-[[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile Openeye Name: 2-[[2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile CAS Name: 2-[[2-[[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile IUPAC Name: 2-[[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile Traditional Name: 2-[[2-[[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile Formula: C23H24N6S MolecularWeight: 416.54186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2CC2CN3CCC4=C(C3)C=C(C=C4)C#N)C5=CN=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCC2CC2CN3CCC4=C(C3)C=C(C=C4)C#N)C5=CN=CC=C5

InChI

InChI=1S/C23H24N6S/c1-28-22(18-3-2-7-25-12-18)26-27-23(28)30-15-21-10-20(21)14-29-8-6-17-5-4-16(11-24)9-19(17)13-29/h2-5,7,9,12,20-21H,6,8,10,13-15H2,1H3