2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethylphenyl)butanamide

Systemtic Name: 2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethylphenyl)butanamide Openeye Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethylphenyl)butanamide CAS Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-(4-ethylphenyl)butanamide IUPAC Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethylphenyl)butanamide Traditional Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-(4-ethylphenyl)butyramide Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CC)N2C(=NN=C2SCC)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(CC)N2C(=NN=C2SCC)N

InChI

InChI=1S/C16H23N5OS/c1-4-11-7-9-12(10-8-11)18-14(22)13(5-2)21-15(17)19-20-16(21)23-6-3/h7-10,13H,4-6H2,1-3H3,(H2,17,19)(H,18,22)