N-[2-oxidanylidene-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-7-yl]ethanamide

Systemtic Name: N-[2-oxidanylidene-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-7-yl]ethanamide Openeye Name: N-[2-oxo-4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-7-yl]acetamide CAS Name: N-[2-oxo-4-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-7-yl]acetamide IUPAC Name: N-[2-oxo-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-7-yl]acetamide Traditional Name: N-[2-keto-4-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]chromen-7-yl]acetamide Formula: C18H14N4O3S2 MolecularWeight: 398.45876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C18H14N4O3S2/c1-10(23)19-12-4-5-13-11(7-16(24)25-14(13)8-12)9-27-18-20-17(21-22-18)15-3-2-6-26-15/h2-8H,9H2,1H3,(H,19,23)(H,20,21,22)