3-[3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[2-(4-chlorophenyl)sulfonylethylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[2-(4-chlorophenyl)sulfonylethylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]propionamide Formula: C16H19ClN4O3S2 MolecularWeight: 414.93006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC(=O)N)SCCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC1C2=NN=C(N2CCC(=O)N)SCCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN4O3S2/c17-12-3-5-13(6-4-12)26(23,24)10-9-25-16-20-19-15(11-1-2-11)21(16)8-7-14(18)22/h3-6,11H,1-2,7-10H2,(H2,18,22)