3-[1-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-4-ethyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[1-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-4-ethyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[1-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-4-ethyl-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[1-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-4-ethyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[1-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-4-ethyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-1-[[methyl(veratryl)amino]methyl]-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C18H27N5O3S MolecularWeight: 393.50368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN(C)CC2=CC(=C(C=C2)OC)OC)CCC(=O)N

Isomeric SMILES

CCN1C(=NN(C1=S)CN(C)CC2=CC(=C(C=C2)OC)OC)CCC(=O)N

InChI

InChI=1S/C18H27N5O3S/c1-5-22-17(9-8-16(19)24)20-23(18(22)27)12-21(2)11-13-6-7-14(25-3)15(10-13)26-4/h6-7,10H,5,8-9,11-12H2,1-4H3,(H2,19,24)