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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[[5-ethyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H18ClN5O2S MolecularWeight: 391.87512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C17H18ClN5O2S/c1-3-15-20-21-17(23(15)22-8-4-5-9-22)26-11-16(24)19-12-6-7-14(25-2)13(18)10-12/h4-10H,3,11H2,1-2H3,(H,19,24)