N-(6-azanylhexyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(6-azanylhexyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(6-aminohexyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(6-aminohexyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(6-aminohexyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(6-aminohexyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H25N5OS MolecularWeight: 347.4783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCCCCCCN

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCCCCCCN

InChI

InChI=1S/C17H25N5OS/c1-14-20-21-17(22(14)15-9-5-4-6-10-15)24-13-16(23)19-12-8-3-2-7-11-18/h4-6,9-10H,2-3,7-8,11-13,18H2,1H3,(H,19,23)