1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-propyl-thiourea

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-propyl-thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-propyl-thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-propylthiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-propylthiourea Traditional Name: 1-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]-3-propyl-thiourea Formula: C16H21BrN4S MolecularWeight: 381.33374

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=C(N(N=C1C)CC2=CC=C(C=C2)Br)C

Isomeric SMILES

CCCNC(=S)NC1=C(N(N=C1C)CC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C16H21BrN4S/c1-4-9-18-16(22)19-15-11(2)20-21(12(15)3)10-13-5-7-14(17)8-6-13/h5-8H,4,9-10H2,1-3H3,(H2,18,19,22)