2-[(5-azanyl-1H-1,2,4-triazol-4-ium-4-yl)sulfanyl]-N-(4-phenylbutan-2-yl)ethanamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-4-ium-4-yl)sulfanyl]-N-(4-phenylbutan-2-yl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-4-ium-4-yl)sulfanyl]-N-(1-methyl-3-phenyl-propyl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-4-ium-4-yl)thio]-N-(4-phenylbutan-2-yl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-4-ium-4-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-4-ium-4-yl)thio]-N-(1-methyl-3-phenyl-propyl)acetamide Formula: C14H20N5OS+ MolecularWeight: 306.4065

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CS[N+]2=C(NN=C2)N

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)CS[N+]2=C(NN=C2)N

InChI

InChI=1S/C14H19N5OS/c1-11(7-8-12-5-3-2-4-6-12)17-13(20)9-21-19-10-16-18-14(19)15/h2-6,10-11H,7-9H2,1H3,(H3,15,17,18,20)/p+1