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

Systemtic Name: N-(4-ethoxy-3-methoxy-phenyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxy-3-methoxy-phenyl)acetamide CAS Name: N-(4-ethoxy-3-methoxyphenyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxy-3-methoxyphenyl)acetamide Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-ethoxy-3-methoxy-phenyl)acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C)OC

InChI

InChI=1S/C21H24N4O3S/c1-4-28-18-11-10-17(12-19(18)27-3)22-20(26)14-29-21-24-23-15(2)25(21)13-16-8-6-5-7-9-16/h5-12H,4,13-14H2,1-3H3,(H,22,26)