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

Systemtic Name: 4-[[[3-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[[3-phenyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(benzylthio)-5-phenyl-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2NC=C3C=CC(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2NC=C3C=CC(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H18N4OS/c27-20-13-11-17(12-14-20)15-23-26-21(19-9-5-2-6-10-19)24-25-22(26)28-16-18-7-3-1-4-8-18/h1-15,23H,16H2