N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-5-carboxamide

Systemtic Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-5-carboxamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-2,3-dihydrobenzofuran-5-carboxamide CAS Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-2,3-dihydrobenzofuran-5-carboxamide IUPAC Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-5-carboxamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]coumaran-5-carboxamide Formula: C18H17N5O2S2 MolecularWeight: 399.48988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC3=C(C=C2)OCC3)C4=NNC(=S)N4CC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC3=C(C=C2)OCC3)C4=NNC(=S)N4CC=C

InChI

InChI=1S/C18H17N5O2S2/c1-3-7-23-15(21-22-18(23)26)14-10(2)19-17(27-14)20-16(24)12-4-5-13-11(9-12)6-8-25-13/h3-5,9H,1,6-8H2,2H3,(H,22,26)(H,19,20,24)