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

Systemtic Name: 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)propanamide Openeye Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)propanamide CAS Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-ethylphenyl)propanamide IUPAC Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)propanamide Traditional Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-(4-ethylphenyl)propionamide Formula: C20H23N5OS MolecularWeight: 381.49452

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5OS/c1-4-15-7-11-17(12-8-15)22-19(26)14(3)27-20-24-23-18(25(20)21)16-9-5-13(2)6-10-16/h5-12,14H,4,21H2,1-3H3,(H,22,26)