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

Systemtic Name: 1-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-(1-benzyl-4-chloro-pyrazol-3-yl)-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-(1-benzyl-4-chloropyrazol-3-yl)-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-(1-benzyl-4-chloro-pyrazol-3-yl)-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=NN(C=C3Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=NN(C=C3Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H17ClN4O2S/c1-13-9-19(27)28-18-10-15(7-8-16(13)18)23-21(29)24-20-17(22)12-26(25-20)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H2,23,24,25,29)