2-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-propanamide

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-propanamide Openeye Name: N-allyl-2-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-enylpropanamide IUPAC Name: 2-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylpropanamide Traditional Name: N-allyl-2-[(5-benzyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NCC=C)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NCC=C)CC3=CC=CC=C3

InChI

InChI=1S/C23H26N4O2S/c1-4-15-24-22(28)17(3)30-23-26-25-21(16-18-9-7-6-8-10-18)27(23)19-11-13-20(14-12-19)29-5-2/h4,6-14,17H,1,5,15-16H2,2-3H3,(H,24,28)