1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2-bromophenyl)thiourea

Systemtic Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2-bromophenyl)thiourea Openeye Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2-bromophenyl)thiourea CAS Name: 1-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-3-(2-bromophenyl)thiourea IUPAC Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2-bromophenyl)thiourea Traditional Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2-bromophenyl)thiourea Formula: C17H14BrN7S MolecularWeight: 428.30896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CN3C=C(C=N3)NC(=S)NC4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CN3C=C(C=N3)NC(=S)NC4=CC=CC=C4Br

InChI

InChI=1S/C17H14BrN7S/c18-13-5-1-2-6-14(13)21-17(26)20-12-9-19-24(10-12)11-25-16-8-4-3-7-15(16)22-23-25/h1-10H,11H2,(H2,20,21,26)