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

Systemtic Name: 4-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-(3-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-(3-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C16H18ClN5S MolecularWeight: 347.86562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3=CC(=CC=C3)Cl)SCCCC#N

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3=CC(=CC=C3)Cl)SCCCC#N

InChI

InChI=1S/C16H18ClN5S/c17-13-6-5-7-14(12-13)22-15(21-9-2-3-10-21)19-20-16(22)23-11-4-1-8-18/h5-7,12H,1-4,9-11H2