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

Systemtic Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C29H26N4O3S MolecularWeight: 510.60674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=C(N(N=C3C)CC4=CC(=CC=C4)OC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=C(N(N=C3C)CC4=CC(=CC=C4)OC5=CC=CC=C5)C

InChI

InChI=1S/C29H26N4O3S/c1-18-14-27(34)36-26-16-22(12-13-25(18)26)30-29(37)31-28-19(2)32-33(20(28)3)17-21-8-7-11-24(15-21)35-23-9-5-4-6-10-23/h4-16H,17H2,1-3H3,(H2,30,31,37)