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

Systemtic Name: 1-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(2-ethoxyphenyl)urea Openeye Name: 1-[1-[5-benzylsulfanyl-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2-ethoxyphenyl)urea CAS Name: 1-[1-[4-(5-chloro-2-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethyl]-3-(2-ethoxyphenyl)urea IUPAC Name: 1-[1-[5-benzylsulfanyl-4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2-ethoxyphenyl)urea Traditional Name: 1-[1-[5-(benzylthio)-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]-3-o-phenetyl-urea Formula: C27H28ClN5O2S MolecularWeight: 522.06152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)NC(C)C2=NN=C(N2C3=C(C=CC(=C3)Cl)C)SCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)NC(C)C2=NN=C(N2C3=C(C=CC(=C3)Cl)C)SCC4=CC=CC=C4

InChI

InChI=1S/C27H28ClN5O2S/c1-4-35-24-13-9-8-12-22(24)30-26(34)29-19(3)25-31-32-27(36-17-20-10-6-5-7-11-20)33(25)23-16-21(28)15-14-18(23)2/h5-16,19H,4,17H2,1-3H3,(H2,29,30,34)