1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea

Systemtic Name: 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C19H21BrN4O2S MolecularWeight: 449.36464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NCCCN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NCCCN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C19H21BrN4O2S/c1-11-9-17(25)26-16-10-14(5-6-15(11)16)22-19(27)21-7-4-8-24-13(3)18(20)12(2)23-24/h5-6,9-10H,4,7-8H2,1-3H3,(H2,21,22,27)