(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-[(pyridin-3-ylmethylamino)methyl]cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-[(pyridin-3-ylmethylamino)methyl]cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-[(3-pyridylmethylamino)methyl]cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-[(3-pyridinylmethylamino)methyl]-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-[(pyridin-3-ylmethylamino)methyl]cyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-[(3-pyridylmethylamino)methyl]cyclohexa-2,5-dien-1-one Formula: C20H17N3OS MolecularWeight: 347.43348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=CC(=O)C(=C3)CNCC4=CN=CC=C4)S2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C\3/C=CC(=O)C(=C3)CNCC4=CN=CC=C4)/S2

InChI

InChI=1S/C20H17N3OS/c24-18-8-7-15(20-23-17-5-1-2-6-19(17)25-20)10-16(18)13-22-12-14-4-3-9-21-11-14/h1-11,22-23H,12-13H2/b20-15+