1-[2-(4-bromanylpyrazol-1-yl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-[2-(4-bromanylpyrazol-1-yl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-[2-(4-bromopyrazol-1-yl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[2-(4-bromo-1-pyrazolyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-[2-(4-bromopyrazol-1-yl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-[2-(4-bromopyrazol-1-yl)ethyl]-3-homoveratryl-thiourea Formula: C16H21BrN4O2S MolecularWeight: 413.33254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NCCN2C=C(C=N2)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NCCN2C=C(C=N2)Br)OC

InChI

InChI=1S/C16H21BrN4O2S/c1-22-14-4-3-12(9-15(14)23-2)5-6-18-16(24)19-7-8-21-11-13(17)10-20-21/h3-4,9-11H,5-8H2,1-2H3,(H2,18,19,24)