N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-3-(2-oxidanylidenechromen-3-yl)benzamide

Systemtic Name: N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-3-(2-oxidanylidenechromen-3-yl)benzamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-(2-oxochromen-3-yl)benzamide CAS Name: N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-3-(2-oxo-1-benzopyran-3-yl)benzamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-(2-oxochromen-3-yl)benzamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-3-(2-ketochromen-3-yl)benzamide Formula: C26H20N4O3S MolecularWeight: 468.527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=CC=CC(=C2)C3=CC4=CC=CC=C4OC3=O)SCC5=CC=CC=C5

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=CC=CC(=C2)C3=CC4=CC=CC=C4OC3=O)SCC5=CC=CC=C5

InChI

InChI=1S/C26H20N4O3S/c1-17-27-28-26(34-16-18-8-3-2-4-9-18)30(17)29-24(31)21-12-7-11-19(14-21)22-15-20-10-5-6-13-23(20)33-25(22)32/h2-15H,16H2,1H3,(H,29,31)