2-(1,3-benzothiazol-2-ylsulfanyl)-1,3-benzothiazole; 2-pyridin-1-ium-1-ylethanol

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1,3-benzothiazole; 2-pyridin-1-ium-1-ylethanol Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1,3-benzothiazole; 2-pyridin-1-ium-1-ylethanol CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1,3-benzothiazole; 2-(1-pyridin-1-iumyl)ethanol IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1,3-benzothiazole; 2-pyridin-1-ium-1-ylethanol Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1,3-benzothiazole; 2-pyridin-1-ium-1-ylethanol Formula: C21H18N3OS3+ MolecularWeight: 424.58212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCO.C1=CC=C2C(=C1)N=C(S2)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=[N+](C=C1)CCO.C1=CC=C2C(=C1)N=C(S2)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C14H8N2S3.C7H10NO/c1-3-7-11-9(5-1)15-13(17-11)19-14-16-10-6-2-4-8-12(10)18-14;9-7-6-8-4-2-1-3-5-8/h1-8H;1-5,9H,6-7H2/q;+1