methyl 2-[[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoate

Systemtic Name: methyl 2-[[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoate Openeye Name: methyl 2-[[5-(p-tolyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methylamino]benzoate CAS Name: 2-[[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoate Traditional Name: 2-[[5-(p-tolyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methylamino]benzoic acid methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=S)O2)CNC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=S)O2)CNC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C18H17N3O3S/c1-12-7-9-13(10-8-12)16-20-21(18(25)24-16)11-19-15-6-4-3-5-14(15)17(22)23-2/h3-10,19H,11H2,1-2H3