1-(4-methyl-2-oxidanylidene-chromen-7-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea

Systemtic Name: 1-(4-methyl-2-oxidanylidene-chromen-7-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Openeye Name: 1-(4-methyl-2-oxo-chromen-7-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea CAS Name: 1-(4-methyl-2-oxo-1-benzopyran-7-yl)-3-[3-(1-pyrazolylmethyl)phenyl]thiourea IUPAC Name: 1-(4-methyl-2-oxochromen-7-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Traditional Name: 1-(2-keto-4-methyl-chromen-7-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=CC=CC(=C3)CN4C=CC=N4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=CC=CC(=C3)CN4C=CC=N4

InChI

InChI=1S/C21H18N4O2S/c1-14-10-20(26)27-19-12-17(6-7-18(14)19)24-21(28)23-16-5-2-4-15(11-16)13-25-9-3-8-22-25/h2-12H,13H2,1H3,(H2,23,24,28)