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

Systemtic Name: 3-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C17H21N5S MolecularWeight: 327.44714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCC#N)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCC#N)N3CCCCC3

InChI

InChI=1S/C17H21N5S/c1-14-6-8-15(9-7-14)22-16(21-11-3-2-4-12-21)19-20-17(22)23-13-5-10-18/h6-9H,2-5,11-13H2,1H3