1-[2-[3-chloranyl-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoylamino]-3-phenethyl-thiourea

Systemtic Name: 1-[2-[3-chloranyl-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoylamino]-3-phenethyl-thiourea Openeye Name: 1-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridyl]acetyl]amino]-3-phenethyl-thiourea CAS Name: 1-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-1-oxoethyl]amino]-3-phenethylthiourea IUPAC Name: 1-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetyl]amino]-3-phenethylthiourea Traditional Name: 1-[[2-[3-chloro-2-keto-5-(trifluoromethyl)-1-pyridyl]acetyl]amino]-3-phenethyl-thiourea Formula: C17H16ClF3N4O2S MolecularWeight: 432.84775

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NNC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NNC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F

InChI

InChI=1S/C17H16ClF3N4O2S/c18-13-8-12(17(19,20)21)9-25(15(13)27)10-14(26)23-24-16(28)22-7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,23,26)(H2,22,24,28)