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

Systemtic Name: 3-[4-methyl-1-[[(5-methylthiophen-2-yl)methyl-phenethyl-amino]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-1-[[(5-methyl-2-thienyl)methyl-phenethyl-amino]methyl]-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-1-[[(5-methyl-2-thiophenyl)methyl-phenethylamino]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-1-[[(5-methylthiophen-2-yl)methyl-phenethylamino]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-methyl-1-[[(5-methyl-2-thienyl)methyl-phenethyl-amino]methyl]-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C21H27N5OS2 MolecularWeight: 429.60198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)CN3C(=S)N(C(=N3)CCC(=O)N)C

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)CN3C(=S)N(C(=N3)CCC(=O)N)C

InChI

InChI=1S/C21H27N5OS2/c1-16-8-9-18(29-16)14-25(13-12-17-6-4-3-5-7-17)15-26-21(28)24(2)20(23-26)11-10-19(22)27/h3-9H,10-15H2,1-2H3,(H2,22,27)