1-[2-[5-[(4-chlorophenyl)sulfanylmethyl]-1,2,3,4-tetrazol-2-yl]ethanoylamino]-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-[2-[5-[(4-chlorophenyl)sulfanylmethyl]-1,2,3,4-tetrazol-2-yl]ethanoylamino]-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[[2-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-2-yl]acetyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[[2-[5-[[(4-chlorophenyl)thio]methyl]-2-tetrazolyl]-1-oxoethyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[[2-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-2-yl]acetyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[[2-[5-[[(4-chlorophenyl)thio]methyl]tetrazol-2-yl]acetyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C18H15ClF3N7OS2 MolecularWeight: 501.93621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(F)(F)F)NC(=S)NNC(=O)CN2N=C(N=N2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)NC(=S)NNC(=O)CN2N=C(N=N2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClF3N7OS2/c19-11-5-7-12(8-6-11)32-10-15-24-28-29(27-15)9-16(30)25-26-17(31)23-14-4-2-1-3-13(14)18(20,21)22/h1-8H,9-10H2,(H,25,30)(H2,23,26,31)