6-[4-azanyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-azanyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-(4-amino-3-isopentylsulfanyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,4-dien-1-one CAS Name: 6-[4-amino-3-(3-methylbutylthio)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-amino-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-amino-3-(isoamylthio)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C13H18N4OS MolecularWeight: 278.37322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NNC(=C2C=CC=CC2=O)N1N

Isomeric SMILES

CC(C)CCSC1=NNC(=C2C=CC=CC2=O)N1N

InChI

InChI=1S/C13H18N4OS/c1-9(2)7-8-19-13-16-15-12(17(13)14)10-5-3-4-6-11(10)18/h3-6,9,15H,7-8,14H2,1-2H3