4-(1,3-benzothiazol-2-yl)-3-methyl-1-phenyl-pyrido[2,1-b][1,3]benzoxazol-10-ium

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-3-methyl-1-phenyl-pyrido[2,1-b][1,3]benzoxazol-10-ium Openeye Name: 4-(1,3-benzothiazol-2-yl)-3-methyl-1-phenyl-pyrido[2,1-b][1,3]benzoxazol-10-ium CAS Name: 4-(1,3-benzothiazol-2-yl)-3-methyl-1-phenylpyrido[2,1-b][1,3]benzoxazol-10-ium IUPAC Name: 4-(1,3-benzothiazol-2-yl)-3-methyl-1-phenylpyrido[2,1-b][1,3]benzoxazol-10-ium Traditional Name: 4-(1,3-benzothiazol-2-yl)-3-methyl-1-phenyl-pyrido[2,1-b][1,3]benzoxazol-10-ium Formula: C25H17N2OS+ MolecularWeight: 393.48028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C3=CC=CC=C3OC2=C1C4=NC5=CC=CC=C5S4)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=[N+]2C3=CC=CC=C3OC2=C1C4=NC5=CC=CC=C5S4)C6=CC=CC=C6

InChI

InChI=1S/C25H17N2OS/c1-16-15-20(17-9-3-2-4-10-17)27-19-12-6-7-13-21(19)28-25(27)23(16)24-26-18-11-5-8-14-22(18)29-24/h2-15H,1H3/q+1