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

Systemtic Name: 2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)propanamide Openeye Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)propanamide CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-ethylphenyl)propanamide IUPAC Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)propanamide Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-ethylphenyl)propionamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2N)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2N)C3=CC=C(C=C3)OC

InChI

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