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

Systemtic Name: N-[2-oxidanylidene-4-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-7-yl]ethanamide Openeye Name: N-[2-oxo-4-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-7-yl]acetamide CAS Name: N-[2-oxo-4-[[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-7-yl]acetamide IUPAC Name: N-[2-oxo-4-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-7-yl]acetamide Traditional Name: N-[2-keto-4-[[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]thio]methyl]chromen-7-yl]acetamide Formula: C20H18N4O3S2 MolecularWeight: 426.51192

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3CCC4=CC=CS4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3CCC4=CC=CS4

InChI

InChI=1S/C20H18N4O3S2/c1-13(25)22-15-4-5-17-14(9-19(26)27-18(17)10-15)11-29-20-23-21-12-24(20)7-6-16-3-2-8-28-16/h2-5,8-10,12H,6-7,11H2,1H3,(H,22,25)