4-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-chromen-2-one

Systemtic Name: 4-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-chromen-2-one Openeye Name: 4-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-chromen-2-one CAS Name: 4-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-3-nitro-1-benzopyran-2-one IUPAC Name: 4-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitrochromen-2-one Traditional Name: 4-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-3-nitro-coumarin Formula: C25H18N4O5S MolecularWeight: 486.49922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SC4=C(C(=O)OC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SC4=C(C(=O)OC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C25H18N4O5S/c1-16-9-5-7-13-19(16)33-15-21-26-27-25(28(21)17-10-3-2-4-11-17)35-23-18-12-6-8-14-20(18)34-24(30)22(23)29(31)32/h2-14H,15H2,1H3