1-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-one

Systemtic Name: 1-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-one Openeye Name: 1-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-one CAS Name: 1-phenyl-4-(1H-1,2,4-triazol-5-ylthio)-1-butanone IUPAC Name: 1-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-one Traditional Name: 1-phenyl-4-(1H-1,2,4-triazol-5-ylthio)butan-1-one Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCSC2=NC=NN2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCSC2=NC=NN2

InChI

InChI=1S/C12H13N3OS/c16-11(10-5-2-1-3-6-10)7-4-8-17-12-13-9-14-15-12/h1-3,5-6,9H,4,7-8H2,(H,13,14,15)