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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]thiourea Formula: C20H19BrN4O2S MolecularWeight: 459.35946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19BrN4O2S/c1-12-19(13(2)25(24-12)10-14-3-5-15(21)6-4-14)23-20(28)22-16-7-8-17-18(9-16)27-11-26-17/h3-9H,10-11H2,1-2H3,(H2,22,23,28)