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

Systemtic Name: 1-(4-methyl-2-oxidanylidene-chromen-7-yl)-3-[1-(phenylmethyl)pyrazol-3-yl]thiourea Openeye Name: 1-(1-benzylpyrazol-3-yl)-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-(4-methyl-2-oxo-1-benzopyran-7-yl)-3-[1-(phenylmethyl)-3-pyrazolyl]thiourea IUPAC Name: 1-(1-benzylpyrazol-3-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-(1-benzylpyrazol-3-yl)-3-(2-keto-4-methyl-chromen-7-yl)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=NN(C=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=NN(C=C3)CC4=CC=CC=C4

InChI

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