4-[[4-cyclohexyl-5-[[(3-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[4-cyclohexyl-5-[[(3-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-cyclohexyl-5-(m-anisidinomethyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C20H27N5OS MolecularWeight: 385.52628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCCCC#N

Isomeric SMILES

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCCCC#N

InChI

InChI=1S/C20H27N5OS/c1-26-18-11-7-8-16(14-18)22-15-19-23-24-20(27-13-6-5-12-21)25(19)17-9-3-2-4-10-17/h7-8,11,14,17,22H,2-6,9-10,13,15H2,1H3