3-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine

Systemtic Name: 3-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine Openeye Name: 3-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine CAS Name: 3-[[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]pyridine IUPAC Name: 3-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine Traditional Name: 3-[[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]pyridine Formula: C19H21N5S MolecularWeight: 351.46854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CN=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CN=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C19H21N5S/c1-2-6-17(7-3-1)24-18(16-8-11-20-12-9-16)22-23-19(24)25-14-15-5-4-10-21-13-15/h4-5,8-13,17H,1-3,6-7,14H2