1-chloranyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one

Systemtic Name: 1-chloranyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Openeye Name: 1-chloro-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one CAS Name: 1-chloro-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-2-propanone IUPAC Name: 1-chloro-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Traditional Name: 1-chloro-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetone Formula: C11H10ClN3OS MolecularWeight: 267.7346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)CCl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)CCl

InChI

InChI=1S/C11H10ClN3OS/c12-6-9(16)7-17-11-13-10(14-15-11)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14,15)