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

Systemtic Name: 4-[[4-azanyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C12H12ClN5S MolecularWeight: 293.77518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NN=C(N2N)SCCCC#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NN=C(N2N)SCCCC#N)Cl

InChI

InChI=1S/C12H12ClN5S/c13-10-6-2-1-5-9(10)11-16-17-12(18(11)15)19-8-4-3-7-14/h1-2,5-6H,3-4,8,15H2