1-[(E)-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiourea Openeye Name: [(E)-[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea CAS Name: [(E)-[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: [(E)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea Traditional Name: [(E)-[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea Formula: C20H15N5O2S MolecularWeight: 389.4304

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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)C=NNC(=S)N

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O2S/c21-20(28)23-22-11-14-12-25(15-7-2-1-3-8-15)24-18(14)16-10-13-6-4-5-9-17(13)27-19(16)26/h1-12H,(H3,21,23,28)/b22-11+