1-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3-cyclohexyl-thiourea

Systemtic Name: 1-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-3-cyclohexyl-thiourea Openeye Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-cyclohexyl-thiourea CAS Name: 1-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-3-cyclohexylthiourea IUPAC Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-cyclohexylthiourea Traditional Name: 1-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-3-cyclohexyl-thiourea Formula: C17H21BrN4S MolecularWeight: 393.34444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC2=CC=CC(=C2)CN3C=C(C=N3)Br

Isomeric SMILES

C1CCC(CC1)NC(=S)NC2=CC=CC(=C2)CN3C=C(C=N3)Br

InChI

InChI=1S/C17H21BrN4S/c18-14-10-19-22(12-14)11-13-5-4-8-16(9-13)21-17(23)20-15-6-2-1-3-7-15/h4-5,8-10,12,15H,1-3,6-7,11H2,(H2,20,21,23)