[(3S)-4-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)-2-oxidanylidene-3-phenyl-3H-pyrrol-5-yl]azanium

Systemtic Name: [(3S)-4-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)-2-oxidanylidene-3-phenyl-3H-pyrrol-5-yl]azanium Openeye Name: [(3S)-4-(1,3-benzothiazol-2-yl)-2-oxo-3-phenyl-1-(p-tolyl)-3H-pyrrol-5-yl]ammonium CAS Name: [(3S)-4-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)-2-oxo-3-phenyl-3H-pyrrol-5-yl]ammonium IUPAC Name: [(3S)-4-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)-2-oxo-3-phenyl-3H-pyrrol-5-yl]azanium Traditional Name: [(4S)-3-(1,3-benzothiazol-2-yl)-5-keto-4-phenyl-1-(p-tolyl)-2-pyrrolin-2-yl]ammonium Formula: C24H20N3OS+ MolecularWeight: 398.5001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(C(=C2[NH3+])C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)[C@H](C(=C2[NH3+])C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C24H19N3OS/c1-15-11-13-17(14-12-15)27-22(25)21(20(24(27)28)16-7-3-2-4-8-16)23-26-18-9-5-6-10-19(18)29-23/h2-14,20H,25H2,1H3/p+1/t20-/m0/s1