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

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-[4-(trifluoromethyloxy)phenyl]thiourea Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]thiourea CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-[4-(trifluoromethoxy)phenyl]thiourea IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]thiourea Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]thiourea Formula: C16H13F3N6O2S MolecularWeight: 410.37363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3N6O2S/c17-16(18,19)27-11-7-5-10(6-8-11)20-15(28)23-22-14(26)9-25-13-4-2-1-3-12(13)21-24-25/h1-8H,9H2,(H,22,26)(H2,20,23,28)