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

Systemtic Name: 4-[[4-azanyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C12H11Cl2N5S MolecularWeight: 328.22024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)C2=NN=C(N2N)SCCCC#N

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)C2=NN=C(N2N)SCCCC#N

InChI

InChI=1S/C12H11Cl2N5S/c13-8-3-4-9(10(14)7-8)11-17-18-12(19(11)16)20-6-2-1-5-15/h3-4,7H,1-2,6,16H2