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

Systemtic Name: 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide Openeye Name: 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide CAS Name: 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-ethoxyphenyl)propanamide IUPAC Name: 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide Traditional Name: 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-p-phenetyl-propionamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C)C3=CC(=CC=C3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C)C3=CC(=CC=C3)N

InChI

InChI=1S/C20H23N5O2S/c1-4-27-17-10-8-16(9-11-17)22-19(26)13(2)28-20-24-23-18(25(20)3)14-6-5-7-15(21)12-14/h5-13H,4,21H2,1-3H3,(H,22,26)