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

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[3-(4-methoxyphenyl)-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:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=NNC3=S)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=NNC3=S)C4=CC=C(C=C4)OC

InChI

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