3-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methoxy]but-2-ynoxymethyl]-1,3-benzothiazole-2-thione

Systemtic Name: 3-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methoxy]but-2-ynoxymethyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[4-[(2-thioxo-1,3-benzothiazol-3-yl)methoxy]but-2-ynoxymethyl]-1,3-benzothiazole-2-thione CAS Name: 3-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methoxy]but-2-ynoxymethyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methoxy]but-2-ynoxymethyl]-1,3-benzothiazole-2-thione Traditional Name: 3-[4-[(2-thioxo-1,3-benzothiazol-3-yl)methoxy]but-2-ynoxymethyl]-1,3-benzothiazole-2-thione Formula: C20H16N2O2S4 MolecularWeight: 444.61324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=S)S2)COCC#CCOCN3C4=CC=CC=C4SC3=S

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=S)S2)COCC#CCOCN3C4=CC=CC=C4SC3=S

InChI

InChI=1S/C20H16N2O2S4/c25-19-21(15-7-1-3-9-17(15)27-19)13-23-11-5-6-12-24-14-22-16-8-2-4-10-18(16)28-20(22)26/h1-4,7-10H,11-14H2