methyl 2-[[4-(3-chloranyl-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-(3-chloranyl-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-(3-chloro-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-chloro-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)OC)C3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)OC)C3=CC=CC=C3)Cl

InChI

InChI=1S/C18H16ClN3O3S/c1-24-15-9-8-13(10-14(15)19)22-17(12-6-4-3-5-7-12)20-21-18(22)26-11-16(23)25-2/h3-10H,11H2,1-2H3