2-[[4-(4-butylphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl-methyl-amino]-N-propyl-ethanamide

Systemtic Name: 2-[[4-(4-butylphenyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]methyl-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[[4-(4-butylphenyl)-5-thioxo-tetrazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide CAS Name: 2-[[4-(4-butylphenyl)-5-sulfanylidene-1-tetrazolyl]methyl-methylamino]-N-propylacetamide IUPAC Name: 2-[[4-(4-butylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methylamino]-N-propylacetamide Traditional Name: 2-[[4-(4-butylphenyl)-5-thioxo-tetrazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide Formula: C18H28N6OS MolecularWeight: 376.51952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=S)N(N=N2)CN(C)CC(=O)NCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=S)N(N=N2)CN(C)CC(=O)NCCC

InChI

InChI=1S/C18H28N6OS/c1-4-6-7-15-8-10-16(11-9-15)24-18(26)23(20-21-24)14-22(3)13-17(25)19-12-5-2/h8-11H,4-7,12-14H2,1-3H3,(H,19,25)