1-[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]amino]-3-ethyl-thiourea

Systemtic Name: 1-[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]amino]-3-ethyl-thiourea Openeye Name: 1-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-anilino]-3-ethyl-thiourea CAS Name: 1-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]-3-ethylthiourea IUPAC Name: 1-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]-3-ethylthiourea Traditional Name: 1-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-anilino]-3-ethyl-thiourea Formula: C16H14ClF3N4O3S MolecularWeight: 434.82057

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCNC(=S)NNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClF3N4O3S/c1-2-21-15(28)23-22-12-8-10(4-5-13(12)24(25)26)27-14-6-3-9(7-11(14)17)16(18,19)20/h3-8,22H,2H2,1H3,(H2,21,23,28)