N-(3,4-dimethoxyphenyl)-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[[4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NN=CN2N3C=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NN=CN2N3C=CC=C3)OC

InChI

InChI=1S/C16H17N5O3S/c1-23-13-6-5-12(9-14(13)24-2)18-15(22)10-25-16-19-17-11-21(16)20-7-3-4-8-20/h3-9,11H,10H2,1-2H3,(H,18,22)