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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[[5-methyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H16ClN5O2S MolecularWeight: 377.84854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C16H16ClN5O2S/c1-11-19-20-16(22(11)21-7-3-4-8-21)25-10-15(23)18-12-5-6-14(24-2)13(17)9-12/h3-9H,10H2,1-2H3,(H,18,23)