2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(2-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C14H14ClN5S MolecularWeight: 319.81246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3=CC=CC=C3Cl)SCC#N

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3=CC=CC=C3Cl)SCC#N

InChI

InChI=1S/C14H14ClN5S/c15-11-5-1-2-6-12(11)20-13(19-8-3-4-9-19)17-18-14(20)21-10-7-16/h1-2,5-6H,3-4,8-10H2