[3-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[(2-amino-4-oxo-5-thiazolylidene)methyl]phenyl] ester IUPAC Name: [3-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]phenyl] ester Formula: C17H14N2O4S2 MolecularWeight: 374.43406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=C3C(=O)N=C(S3)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=C3C(=O)N=C(S3)N

InChI

InChI=1S/C17H14N2O4S2/c1-11-5-7-14(8-6-11)25(21,22)23-13-4-2-3-12(9-13)10-15-16(20)19-17(18)24-15/h2-10H,1H3,(H2,18,19,20)