3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C18H21N5S MolecularWeight: 339.45784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C18H21N5S/c19-12-14-5-4-6-15(11-14)13-24-18-21-20-17(23(18)16-7-8-16)22-9-2-1-3-10-22/h4-6,11,16H,1-3,7-10,13H2