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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[1-[(4-bromophenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[1-(4-bromobenzyl)pyrazol-4-yl]thiourea Formula: C18H15BrN4O2S MolecularWeight: 431.3063

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CN(N=C3)CC4=CC=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CN(N=C3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C18H15BrN4O2S/c19-13-3-1-12(2-4-13)9-23-10-15(8-20-23)22-18(26)21-14-5-6-16-17(7-14)25-11-24-16/h1-8,10H,9,11H2,(H2,21,22,26)