2-[[4-(cyclopropylmethyl)-5-(1-methylpiperidin-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(cyclopropylmethyl)-5-(1-methylpiperidin-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-(cyclopropylmethyl)-5-(1-methyl-2-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-(cyclopropylmethyl)-5-(1-methyl-2-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-(cyclopropylmethyl)-5-(1-methylpiperidin-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-(cyclopropylmethyl)-5-(1-methyl-2-piperidyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H25N5S MolecularWeight: 367.511

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC1C2=NN=C(N2CC3CC3)SCC4=CC=CC=C4C#N

Isomeric SMILES

CN1CCCCC1C2=NN=C(N2CC3CC3)SCC4=CC=CC=C4C#N

InChI

InChI=1S/C20H25N5S/c1-24-11-5-4-8-18(24)19-22-23-20(25(19)13-15-9-10-15)26-14-17-7-3-2-6-16(17)12-21/h2-3,6-7,15,18H,4-5,8-11,13-14H2,1H3