3-[[4-(3-chlorophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[4-(3-chlorophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[4-(3-chlorophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-(3-chlorophenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[4-(3-chlorophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[4-(3-chlorophenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C18H15ClN4OS2 MolecularWeight: 402.9209

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC(=CC=C2)Cl)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

CCSC1=NN=C(N1C2=CC(=CC=C2)Cl)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C18H15ClN4OS2/c1-2-25-17-21-20-16(23(17)13-7-5-6-12(19)10-13)11-22-14-8-3-4-9-15(14)26-18(22)24/h3-10H,2,11H2,1H3