2-(5-methylsulfonyl-1,3-dihydrobenzotriazol-2-yl)-4-phenylimino-cyclohexa-2,5-dien-1-one

Systemtic Name: 2-(5-methylsulfonyl-1,3-dihydrobenzotriazol-2-yl)-4-phenylimino-cyclohexa-2,5-dien-1-one Openeye Name: 2-(5-methylsulfonyl-1,3-dihydrobenzotriazol-2-yl)-4-phenylimino-cyclohexa-2,5-dien-1-one CAS Name: 2-(5-methylsulfonyl-1,3-dihydrobenzotriazol-2-yl)-4-phenylimino-1-cyclohexa-2,5-dienone IUPAC Name: 2-(5-methylsulfonyl-1,3-dihydrobenzotriazol-2-yl)-4-phenyliminocyclohexa-2,5-dien-1-one Traditional Name: 2-(5-mesyl-1,3-dihydrobenzotriazol-2-yl)-4-phenylimino-cyclohexa-2,5-dien-1-one Formula: C19H16N4O3S MolecularWeight: 380.42034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)NN(N2)C3=CC(=NC4=CC=CC=C4)C=CC3=O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)NN(N2)C3=CC(=NC4=CC=CC=C4)C=CC3=O

InChI

InChI=1S/C19H16N4O3S/c1-27(25,26)15-8-9-16-17(12-15)22-23(21-16)18-11-14(7-10-19(18)24)20-13-5-3-2-4-6-13/h2-12,21-22H,1H3