2-[[3-(2-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-ethanamide

Systemtic Name: 2-[[3-(2-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[[4-allyl-3-(2-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide CAS Name: 2-[[3-(2-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide IUPAC Name: 2-[[3-(2-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide Traditional Name: 2-[[4-allyl-3-(2-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=CC=C2OC)CC=C

Isomeric SMILES

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=CC=C2OC)CC=C

InChI

InChI=1S/C19H27N5O2S/c1-5-11-20-17(25)13-22(3)14-24-19(27)23(12-6-2)18(21-24)15-9-7-8-10-16(15)26-4/h6-10H,2,5,11-14H2,1,3-4H3,(H,20,25)