1-(1,3-benzodioxol-5-yl)-3-[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[4-bromo-1-(4-chlorobenzyl)pyrazol-3-yl]thiourea Formula: C18H14BrClN4O2S MolecularWeight: 465.75136

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=NN(C=C3Br)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=NN(C=C3Br)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H14BrClN4O2S/c19-14-9-24(8-11-1-3-12(20)4-2-11)23-17(14)22-18(27)21-13-5-6-15-16(7-13)26-10-25-15/h1-7,9H,8,10H2,(H2,21,22,23,27)