1-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(3-ethylphenyl)urea

Systemtic Name: 1-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(3-ethylphenyl)urea Openeye Name: 1-[1-[5-benzylsulfanyl-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]-3-(3-ethylphenyl)urea CAS Name: 1-[1-[4-(5-chloro-2-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethyl]-3-(3-ethylphenyl)urea IUPAC Name: 1-[1-[5-benzylsulfanyl-4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-3-(3-ethylphenyl)urea Traditional Name: 1-[1-[5-(benzylthio)-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]-3-(3-ethylphenyl)urea Formula: C27H28ClN5OS MolecularWeight: 506.06212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)NC(C)C2=NN=C(N2C3=C(C=CC(=C3)Cl)C)SCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)NC(C)C2=NN=C(N2C3=C(C=CC(=C3)Cl)C)SCC4=CC=CC=C4

InChI

InChI=1S/C27H28ClN5OS/c1-4-20-11-8-12-23(15-20)30-26(34)29-19(3)25-31-32-27(35-17-21-9-6-5-7-10-21)33(25)24-16-22(28)14-13-18(24)2/h5-16,19H,4,17H2,1-3H3,(H2,29,30,34)