1-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-3-cyclopentyl-thiourea

Systemtic Name: 1-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-3-cyclopentyl-thiourea Openeye Name: 1-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-3-cyclopentyl-thiourea CAS Name: 1-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-3-cyclopentylthiourea IUPAC Name: 1-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-cyclopentylthiourea Traditional Name: 1-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-3-cyclopentyl-thiourea Formula: C18H23BrN4S MolecularWeight: 407.37102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)NC(=S)NC3CCCC3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)NC(=S)NC3CCCC3)C)Br

InChI

InChI=1S/C18H23BrN4S/c1-12-17(19)13(2)23(22-12)11-14-6-5-9-16(10-14)21-18(24)20-15-7-3-4-8-15/h5-6,9-10,15H,3-4,7-8,11H2,1-2H3,(H2,20,21,24)