2-[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethanenitrile

Systemtic Name: 2-[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethanenitrile Openeye Name: 2-[4-(3,4-dichlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]acetonitrile CAS Name: 2-[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]acetonitrile IUPAC Name: 2-[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]acetonitrile Traditional Name: 2-[4-(3,4-dichlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]acetonitrile Formula: C10H6Cl2N4S MolecularWeight: 285.15244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C(=NNC2=S)CC#N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1N2C(=NNC2=S)CC#N)Cl)Cl

InChI

InChI=1S/C10H6Cl2N4S/c11-7-2-1-6(5-8(7)12)16-9(3-4-13)14-15-10(16)17/h1-2,5H,3H2,(H,15,17)