3-[[4-(4-chlorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]propanenitrile

Systemtic Name: 3-[[4-(4-chlorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]propanenitrile Openeye Name: 3-[[4-(4-chlorophenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]propanenitrile CAS Name: 3-[[4-(4-chlorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]propanenitrile IUPAC Name: 3-[[4-(4-chlorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]propanenitrile Traditional Name: 3-[[4-(4-chlorophenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]propionitrile Formula: C18H17ClN6S MolecularWeight: 384.88578

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)CN1C(=S)N(C(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN(CCC#N)CN1C(=S)N(C(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN6S/c1-23(12-2-9-20)13-24-18(26)25(16-5-3-15(19)4-6-16)17(22-24)14-7-10-21-11-8-14/h3-8,10-11H,2,12-13H2,1H3