2-[[4-azanyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-heptan-2-yl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-heptan-2-yl-ethanamide Openeye Name: 2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylhexyl)acetamide CAS Name: 2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-heptan-2-ylacetamide IUPAC Name: 2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-heptan-2-ylacetamide Traditional Name: 2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(1-methylhexyl)acetamide Formula: C19H29N5O3S MolecularWeight: 407.53026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NN=C(N1N)COC2=CC=CC(=C2)OC

Isomeric SMILES

CCCCCC(C)NC(=O)CSC1=NN=C(N1N)COC2=CC=CC(=C2)OC

InChI

InChI=1S/C19H29N5O3S/c1-4-5-6-8-14(2)21-18(25)13-28-19-23-22-17(24(19)20)12-27-16-10-7-9-15(11-16)26-3/h7,9-11,14H,4-6,8,12-13,20H2,1-3H3,(H,21,25)