methyl 4-[2-[(3-chlorophenyl)methyl]-3-sulfanylidene-1H-1,2,4-triazol-5-yl]benzoate

Systemtic Name: methyl 4-[2-[(3-chlorophenyl)methyl]-3-sulfanylidene-1H-1,2,4-triazol-5-yl]benzoate Openeye Name: methyl 4-[2-[(3-chlorophenyl)methyl]-3-thioxo-1H-1,2,4-triazol-5-yl]benzoate CAS Name: 4-[2-[(3-chlorophenyl)methyl]-3-sulfanylidene-1H-1,2,4-triazol-5-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(3-chlorophenyl)methyl]-3-sulfanylidene-1H-1,2,4-triazol-5-yl]benzoate Traditional Name: 4-[2-(3-chlorobenzyl)-3-thioxo-1H-1,2,4-triazol-5-yl]benzoic acid methyl ester Formula: C17H14ClN3O2S MolecularWeight: 359.82996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NC(=S)N(N2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NC(=S)N(N2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H14ClN3O2S/c1-23-16(22)13-7-5-12(6-8-13)15-19-17(24)21(20-15)10-11-3-2-4-14(18)9-11/h2-9H,10H2,1H3,(H,19,20,24)