1-[2-(benzotriazol-1-yl)ethanoylamino]-3-(3-chloranyl-4-fluoranyl-phenyl)thiourea

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-(3-chloranyl-4-fluoranyl-phenyl)thiourea Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(3-chloro-4-fluoro-phenyl)thiourea CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-(3-chloro-4-fluorophenyl)thiourea IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(3-chloro-4-fluorophenyl)thiourea Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(3-chloro-4-fluoro-phenyl)thiourea Formula: C15H12ClFN6OS MolecularWeight: 378.811783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClFN6OS/c16-10-7-9(5-6-11(10)17)18-15(25)21-20-14(24)8-23-13-4-2-1-3-12(13)19-22-23/h1-7H,8H2,(H,20,24)(H2,18,21,25)