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

Systemtic Name: 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxy-3,5-dimethyl-pyridine Openeye Name: 2-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-3,5-dimethyl-pyridine CAS Name: 2-[[[4-cyclohexyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-3,5-dimethylpyridine IUPAC Name: 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxy-3,5-dimethylpyridine Traditional Name: 2-[[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-3,5-dimethyl-pyridine Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CSC2=NN=C(N2C3CCCCC3)C4=CN=CC=C4

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CSC2=NN=C(N2C3CCCCC3)C4=CN=CC=C4

InChI

InChI=1S/C22H27N5OS/c1-15-12-24-19(16(2)20(15)28-3)14-29-22-26-25-21(17-8-7-11-23-13-17)27(22)18-9-5-4-6-10-18/h7-8,11-13,18H,4-6,9-10,14H2,1-3H3