ethyl 7-methyl-8-phenyl-4-(phenylcarbamothioylamino)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate

Systemtic Name: ethyl 7-methyl-8-phenyl-4-(phenylcarbamothioylamino)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate Openeye Name: ethyl 7-methyl-8-phenyl-4-(phenylcarbamothioylamino)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]-7-methyl-8-phenyl-3-pyrazolo[5,1-c][1,2,4]triazinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-methyl-8-phenyl-4-(phenylcarbamothioylamino)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate Traditional Name: 7-methyl-8-phenyl-4-(phenylthiocarbamoylamino)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid ethyl ester Formula: C22H20N6O2S MolecularWeight: 432.4982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=C(C(=N2)C)C3=CC=CC=C3)N=N1)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N2C(=C(C(=N2)C)C3=CC=CC=C3)N=N1)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C22H20N6O2S/c1-3-30-21(29)18-20(24-22(31)23-16-12-8-5-9-13-16)28-19(26-25-18)17(14(2)27-28)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3,(H2,23,24,31)