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

Systemtic Name: 1-methyl-3-[(E)-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiourea Openeye Name: 1-methyl-3-[(E)-[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-methyl-3-[(E)-[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: 1-methyl-3-[(E)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea Traditional Name: 1-[(E)-[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-methyl-thiourea Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN=CC1=CN(N=C1C2=CC3=CC=CC=C3OC2=O)C4=CC=CC=C4

Isomeric SMILES

CNC(=S)N/N=C/C1=CN(N=C1C2=CC3=CC=CC=C3OC2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O2S/c1-22-21(29)24-23-12-15-13-26(16-8-3-2-4-9-16)25-19(15)17-11-14-7-5-6-10-18(14)28-20(17)27/h2-13H,1H3,(H2,22,24,29)/b23-12+