1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(3,4-dimethoxyphenyl)thiourea

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(3,4-dimethoxyphenyl)thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(3,4-dimethoxyphenyl)thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-4-pyrazolyl]-3-(3,4-dimethoxyphenyl)thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(3,4-dimethoxyphenyl)thiourea Traditional Name: 1-[1-(4-bromobenzyl)pyrazol-4-yl]-3-(3,4-dimethoxyphenyl)thiourea Formula: C19H19BrN4O2S MolecularWeight: 447.34876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C19H19BrN4O2S/c1-25-17-8-7-15(9-18(17)26-2)22-19(27)23-16-10-21-24(12-16)11-13-3-5-14(20)6-4-13/h3-10,12H,11H2,1-2H3,(H2,22,23,27)