N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-(2-oxidanylidenechromen-3-yl)benzamide

Systemtic Name: N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-(2-oxidanylidenechromen-3-yl)benzamide Openeye Name: N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-(2-oxochromen-3-yl)benzamide CAS Name: N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-3-(2-oxo-1-benzopyran-3-yl)benzamide IUPAC Name: N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-(2-oxochromen-3-yl)benzamide Traditional Name: N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-3-(2-ketochromen-3-yl)benzamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=O)C2=CC=CC(=C2)C3=CC4=CC=CC=C4OC3=O)C

Isomeric SMILES

CCSC1=NN=C(N1NC(=O)C2=CC=CC(=C2)C3=CC4=CC=CC=C4OC3=O)C

InChI

InChI=1S/C21H18N4O3S/c1-3-29-21-23-22-13(2)25(21)24-19(26)16-9-6-8-14(11-16)17-12-15-7-4-5-10-18(15)28-20(17)27/h4-12H,3H2,1-2H3,(H,24,26)