N-[5-azanyl-4-cyano-3-(2-oxidanylidenechromen-3-yl)pyrazol-1-yl]carbothioylbenzamide

Systemtic Name: N-[5-azanyl-4-cyano-3-(2-oxidanylidenechromen-3-yl)pyrazol-1-yl]carbothioylbenzamide Openeye Name: N-[5-amino-4-cyano-3-(2-oxochromen-3-yl)pyrazole-1-carbothioyl]benzamide CAS Name: N-[[5-amino-4-cyano-3-(2-oxo-1-benzopyran-3-yl)-1-pyrazolyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-[5-amino-4-cyano-3-(2-oxochromen-3-yl)pyrazole-1-carbothioyl]benzamide Traditional Name: N-[5-amino-4-cyano-3-(2-ketochromen-3-yl)pyrazole-1-carbothioyl]benzamide Formula: C21H13N5O3S MolecularWeight: 415.42462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)N2C(=C(C(=N2)C3=CC4=CC=CC=C4OC3=O)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)N2C(=C(C(=N2)C3=CC4=CC=CC=C4OC3=O)C#N)N

InChI

InChI=1S/C21H13N5O3S/c22-11-15-17(14-10-13-8-4-5-9-16(13)29-20(14)28)25-26(18(15)23)21(30)24-19(27)12-6-2-1-3-7-12/h1-10H,23H2,(H,24,27,30)