ethyl 4-[[3-phenyl-4-(pyridin-4-ylcarbonylamino)-5-sulfanylidene-1,2,4-triazol-1-yl]methylamino]benzoate

Systemtic Name: ethyl 4-[[3-phenyl-4-(pyridin-4-ylcarbonylamino)-5-sulfanylidene-1,2,4-triazol-1-yl]methylamino]benzoate Openeye Name: ethyl 4-[[3-phenyl-4-(pyridine-4-carbonylamino)-5-thioxo-1,2,4-triazol-1-yl]methylamino]benzoate CAS Name: 4-[[4-[[oxo(pyridin-4-yl)methyl]amino]-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-phenyl-4-(pyridine-4-carbonylamino)-5-sulfanylidene-1,2,4-triazol-1-yl]methylamino]benzoate Traditional Name: 4-[(4-isonicotinamido-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methylamino]benzoic acid ethyl ester Formula: C24H22N6O3S MolecularWeight: 474.53488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCN2C(=S)N(C(=N2)C3=CC=CC=C3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCN2C(=S)N(C(=N2)C3=CC=CC=C3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C24H22N6O3S/c1-2-33-23(32)19-8-10-20(11-9-19)26-16-29-24(34)30(21(27-29)17-6-4-3-5-7-17)28-22(31)18-12-14-25-15-13-18/h3-15,26H,2,16H2,1H3,(H,28,31)