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

Systemtic Name: 3-[2-cyanoethyl-[(4-phenyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[[4-phenyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[(4-phenyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[(4-phenyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[[4-phenyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]propionitrile Formula: C20H19N7S MolecularWeight: 389.47676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN(C2=S)CN(CCC#N)CCC#N)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN(C2=S)CN(CCC#N)CCC#N)C3=CC=NC=C3

InChI

InChI=1S/C20H19N7S/c21-10-4-14-25(15-5-11-22)16-26-20(28)27(18-6-2-1-3-7-18)19(24-26)17-8-12-23-13-9-17/h1-3,6-9,12-13H,4-5,14-16H2