2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-butylphenyl)butanamide

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-butylphenyl)butanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-butylphenyl)butanamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(4-butylphenyl)butanamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-butylphenyl)butanamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(4-butylphenyl)butyramide Formula: C17H25N5OS MolecularWeight: 347.4783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(CC)N2C(=NN=C2SC)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C(CC)N2C(=NN=C2SC)N

InChI

InChI=1S/C17H25N5OS/c1-4-6-7-12-8-10-13(11-9-12)19-15(23)14(5-2)22-16(18)20-21-17(22)24-3/h8-11,14H,4-7H2,1-3H3,(H2,18,20)(H,19,23)