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

Systemtic Name: 6-[[[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(2-benzylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(2-benzylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(benzylthio)-1,3-benzothiazol-6-yl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C21H16N2OS2 MolecularWeight: 376.49454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC=C4C=CC=CC4=O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC=C4C=CC=CC4=O

InChI

InChI=1S/C21H16N2OS2/c24-19-9-5-4-8-16(19)13-22-17-10-11-18-20(12-17)26-21(23-18)25-14-15-6-2-1-3-7-15/h1-13,22H,14H2