[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]methyl carbamimidothioate

Systemtic Name: [3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]methyl carbamimidothioate Openeye Name: 2-[[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]methyl]isothiourea CAS Name: carbamimidothioic acid [3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]methyl ester IUPAC Name: [3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methyl carbamimidothioate Traditional Name: 2-[[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]methyl]isothiourea Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4OC3=O)CSC(=N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4OC3=O)CSC(=N)N

InChI

InChI=1S/C20H16N4O2S/c21-20(22)27-12-14-11-24(15-7-2-1-3-8-15)23-18(14)16-10-13-6-4-5-9-17(13)26-19(16)25/h1-11H,12H2,(H3,21,22)