N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3-(methylsulfanylmethyl)-1-benzofuran-2-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]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-(methylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-3-[(methylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-[(methylthio)methyl]coumarilamide Formula: C20H19N5O2S3 MolecularWeight: 457.59216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=C(C3=CC=CC=C3O2)CSC)C4=NNC(=S)N4CC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=C(C3=CC=CC=C3O2)CSC)C4=NNC(=S)N4CC=C

InChI

InChI=1S/C20H19N5O2S3/c1-4-9-25-17(23-24-20(25)28)16-11(2)21-19(30-16)22-18(26)15-13(10-29-3)12-7-5-6-8-14(12)27-15/h4-8H,1,9-10H2,2-3H3,(H,24,28)(H,21,22,26)