methyl 1-phenethyl-2-sulfanylidene-3H-benzimidazole-5-carboxylate

Systemtic Name: methyl 1-phenethyl-2-sulfanylidene-3H-benzimidazole-5-carboxylate Openeye Name: methyl 1-phenethyl-2-thioxo-3H-benzimidazole-5-carboxylate CAS Name: 1-phenethyl-2-sulfanylidene-3H-benzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 1-phenethyl-2-sulfanylidene-3H-benzimidazole-5-carboxylate Traditional Name: 1-phenethyl-2-thioxo-3H-benzimidazole-5-carboxylic acid methyl ester Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=S)N2)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=S)N2)CCC3=CC=CC=C3

InChI

InChI=1S/C17H16N2O2S/c1-21-16(20)13-7-8-15-14(11-13)18-17(22)19(15)10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,22)