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

Systemtic Name: 4-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C14H15ClN4S MolecularWeight: 306.8137

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCC#N)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCN1C(=NN=C1SCCCC#N)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C14H15ClN4S/c1-2-19-13(11-6-5-7-12(15)10-11)17-18-14(19)20-9-4-3-8-16/h5-7,10H,2-4,9H2,1H3