N-aminocarbonyl-2-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-aminocarbonyl-2-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-carbamoyl-2-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-carbamoyl-2-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-carbamoyl-2-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-carbamoyl-2-[[5-(3-methoxyphenyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC(=O)N)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC(=O)N)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H23N5O4S/c1-4-30-16-10-8-15(9-11-16)26-18(14-6-5-7-17(12-14)29-3)24-25-21(26)31-13(2)19(27)23-20(22)28/h5-13H,4H2,1-3H3,(H3,22,23,27,28)