4-[(4-methyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(4-methyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-methyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-methyl-5-(2-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[(4-methyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-methyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C15H17N5S MolecularWeight: 299.39398

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3CCCN3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3CCCN3

InChI

InChI=1S/C15H17N5S/c1-20-14(13-3-2-8-17-13)18-19-15(20)21-10-12-6-4-11(9-16)5-7-12/h4-7,13,17H,2-3,8,10H2,1H3