methyl 4-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C17H15N3O2S2 MolecularWeight: 357.4499

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC3=CC=CC=C3

InChI

InChI=1S/C17H15N3O2S2/c1-22-15(21)13-9-7-12(8-10-13)11-23-17-20-19-16(24-17)18-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,19)