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

Systemtic Name: 4-[[[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(3-benzylsulfanyl-1,2,4-triazol-4-yl)amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[[3-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(3-benzylsulfanyl-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(benzylthio)-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C16H14N4OS MolecularWeight: 310.37356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=CN2NC=C3C=CC(=O)C=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=CN2NC=C3C=CC(=O)C=C3

InChI

InChI=1S/C16H14N4OS/c21-15-8-6-13(7-9-15)10-18-20-12-17-19-16(20)22-11-14-4-2-1-3-5-14/h1-10,12,18H,11H2