methyl 3-azanyl-5-oxidanylidene-N-phenyl-2-(phenylcarbamothioyl)-1H-pyrazole-4-carboximidothioate

Systemtic Name: methyl 3-azanyl-5-oxidanylidene-N-phenyl-2-(phenylcarbamothioyl)-1H-pyrazole-4-carboximidothioate Openeye Name: methyl 3-amino-5-oxo-N-phenyl-2-(phenylcarbamothioyl)-1H-pyrazole-4-carboximidothioate CAS Name: 3-amino-2-[anilino(sulfanylidene)methyl]-5-oxo-N-phenyl-1H-pyrazole-4-carboximidothioic acid methyl ester IUPAC Name: methyl 3-amino-5-oxo-N-phenyl-2-(phenylcarbamothioyl)-1H-pyrazole-4-carboximidothioate Traditional Name: 5-amino-3-keto-N-phenyl-1-(phenylthiocarbamoyl)-3-pyrazoline-4-carboximidothioic acid methyl ester Formula: C18H17N5OS2 MolecularWeight: 383.49048

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=CC=C1)C2=C(N(NC2=O)C(=S)NC3=CC=CC=C3)N

Isomeric SMILES

CSC(=NC1=CC=CC=C1)C2=C(N(NC2=O)C(=S)NC3=CC=CC=C3)N

InChI

InChI=1S/C18H17N5OS2/c1-26-17(20-12-8-4-2-5-9-12)14-15(19)23(22-16(14)24)18(25)21-13-10-6-3-7-11-13/h2-11H,19H2,1H3,(H,21,25)(H,22,24)