N-(3-chloranyl-4-methoxy-phenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H14ClN5O2S MolecularWeight: 375.83266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)Cl

InChI

InChI=1S/C16H14ClN5O2S/c1-24-13-3-2-11(8-12(13)17)19-14(23)9-25-16-20-15(21-22-16)10-4-6-18-7-5-10/h2-8H,9H2,1H3,(H,19,23)(H,20,21,22)