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

Systemtic Name: N-aminocarbonyl-2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-carbamoyl-2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-carbamoyl-2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-carbamoyl-2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-carbamoyl-2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NC(=O)N)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23N5O3S/c1-14(19(27)23-20(22)28)30-21-25-24-18(16-8-10-17(29-2)11-9-16)26(21)13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H3,22,23,27,28)