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

Systemtic Name: 4-[[5-(4-methoxyphenyl)-4-(2-methylcyclohexyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(4-methoxyphenyl)-4-(2-methylcyclohexyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(4-methoxyphenyl)-4-(2-methylcyclohexyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(4-methoxyphenyl)-4-(2-methylcyclohexyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(4-methoxyphenyl)-4-(2-methylcyclohexyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=NN=C2SCCCC#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1CCCCC1N2C(=NN=C2SCCCC#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H26N4OS/c1-15-7-3-4-8-18(15)24-19(16-9-11-17(25-2)12-10-16)22-23-20(24)26-14-6-5-13-21/h9-12,15,18H,3-8,14H2,1-2H3