N-(4-dimethylaminophenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-dimethylaminophenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-dimethylaminophenyl)-2-[[4-(4-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-dimethylaminophenyl)-2-[[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-dimethylaminophenyl)-2-[[4-p-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H26N6O2S MolecularWeight: 474.57794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)N(C)C)C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)N(C)C)C4=CN=CC=C4

InChI

InChI=1S/C25H26N6O2S/c1-4-33-22-13-11-21(12-14-22)31-24(18-6-5-15-26-16-18)28-29-25(31)34-17-23(32)27-19-7-9-20(10-8-19)30(2)3/h5-16H,4,17H2,1-3H3,(H,27,32)