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

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-(4-bromophenyl)thiourea Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-bromophenyl)thiourea CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-(4-bromophenyl)thiourea IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-bromophenyl)thiourea Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-bromophenyl)thiourea Formula: C15H13BrN6OS MolecularWeight: 405.27232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC(=O)NNC(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC(=O)NNC(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C15H13BrN6OS/c16-10-5-7-11(8-6-10)17-15(24)20-19-14(23)9-22-13-4-2-1-3-12(13)18-21-22/h1-8H,9H2,(H,19,23)(H2,17,20,24)