3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C21H21N5O2S2/c1-3-28-15-7-5-14(6-8-15)19-24-25-21(29)26(19)11-10-18(27)23-20-22-16-9-4-13(2)12-17(16)30-20/h4-9,12H,3,10-11H2,1-2H3,(H,25,29)(H,22,23,27)