N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[(4-isopentyloxy-3-methoxy-phenyl)methyl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide CAS Name: N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(4-isoamoxy-3-methoxy-benzyl)-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)NCC2=CC(=C(C=C2)OCCC(C)C)OC

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)NCC2=CC(=C(C=C2)OCCC(C)C)OC

InChI

InChI=1S/C20H30N4O3S/c1-5-6-18-22-23-20(28)24(18)13-19(25)21-12-15-7-8-16(17(11-15)26-4)27-10-9-14(2)3/h7-8,11,14H,5-6,9-10,12-13H2,1-4H3,(H,21,25)(H,23,28)