2-[[5-heptyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-heptyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-heptyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: 2-[[5-heptyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-heptyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-benzyl-5-heptyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)N

Isomeric SMILES

CCCCCCCC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)N

InChI

InChI=1S/C18H26N4OS/c1-2-3-4-5-9-12-17-20-21-18(24-14-16(19)23)22(17)13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3,(H2,19,23)