2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-benzothiazole hydrate

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-benzothiazole hydrate Openeye Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-benzothiazole hydrate CAS Name: 2-[2-(1,3-benzothiazol-2-ylthio)ethylthio]-1,3-benzothiazole hydrate IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-benzothiazole hydrate Traditional Name: 2-[2-(1,3-benzothiazol-2-ylthio)ethylthio]-1,3-benzothiazole hydrate Formula: C16H14N2OS4 MolecularWeight: 378.55516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCSC3=NC4=CC=CC=C4S3.O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCSC3=NC4=CC=CC=C4S3.O

InChI

InChI=1S/C16H12N2S4.H2O/c1-3-7-13-11(5-1)17-15(21-13)19-9-10-20-16-18-12-6-2-4-8-14(12)22-16;/h1-8H,9-10H2;1H2