4-[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC(=O)OC4=C3C=CC(=C4)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC(=O)OC4=C3C=CC(=C4)C

InChI

InChI=1S/C24H26N4O2S/c1-5-28(6-2)19-10-8-17(9-11-19)23-25-26-24(27(23)4)31-15-18-14-22(29)30-21-13-16(3)7-12-20(18)21/h7-14H,5-6,15H2,1-4H3