6-[[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC=C2C=CC=CC2=O)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC=C2C=CC=CC2=O)SCC3=CC=CC=C3

InChI

InChI=1S/C17H16N4OS/c1-13-19-20-17(23-12-14-7-3-2-4-8-14)21(13)18-11-15-9-5-6-10-16(15)22/h2-11,18H,12H2,1H3