ethyl 4-[4-azanyl-5-(1H-benzimidazol-2-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoate

Systemtic Name: ethyl 4-[4-azanyl-5-(1H-benzimidazol-2-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Openeye Name: ethyl 4-[4-amino-5-(1H-benzimidazol-2-yl)-2-thioxo-thiazol-3-yl]benzoate CAS Name: 4-[4-amino-5-(1H-benzimidazol-2-yl)-2-sulfanylidene-3-thiazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-amino-5-(1H-benzimidazol-2-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Traditional Name: 4-[4-amino-5-(1H-benzimidazol-2-yl)-2-thioxo-4-thiazolin-3-yl]benzoic acid ethyl ester Formula: C19H16N4O2S2 MolecularWeight: 396.48594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C3=NC4=CC=CC=C4N3)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C3=NC4=CC=CC=C4N3)N

InChI

InChI=1S/C19H16N4O2S2/c1-2-25-18(24)11-7-9-12(10-8-11)23-16(20)15(27-19(23)26)17-21-13-5-3-4-6-14(13)22-17/h3-10H,2,20H2,1H3,(H,21,22)