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

Systemtic Name: 4-bromanyl-6-[[[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(3-benzylsulfanyl-1,2,4-triazol-4-yl)amino]methylene]-4-bromo-cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[[[3-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(3-benzylsulfanyl-1,2,4-triazol-4-yl)amino]methylidene]-4-bromocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[3-(benzylthio)-1,2,4-triazol-4-yl]amino]methylene]-4-bromo-cyclohexa-2,4-dien-1-one Formula: C16H13BrN4OS MolecularWeight: 389.26962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=CN2NC=C3C=C(C=CC3=O)Br

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=CN2NC=C3C=C(C=CC3=O)Br

InChI

InChI=1S/C16H13BrN4OS/c17-14-6-7-15(22)13(8-14)9-19-21-11-18-20-16(21)23-10-12-4-2-1-3-5-12/h1-9,11,19H,10H2