4-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C18H23N5S MolecularWeight: 341.47372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCCC#N)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCCC#N)N3CCCCC3

InChI

InChI=1S/C18H23N5S/c1-15-7-9-16(10-8-15)23-17(22-12-4-2-5-13-22)20-21-18(23)24-14-6-3-11-19/h7-10H,2-6,12-14H2,1H3