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

Systemtic Name: 4-[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 4-[[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 4-[[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-7-ethyl-coumarin Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)C4=CC=C(C=C4)N(CC)CC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)C4=CC=C(C=C4)N(CC)CC

InChI

InChI=1S/C25H28N4O2S/c1-5-17-8-13-21-19(15-23(30)31-22(21)14-17)16-32-25-27-26-24(28(25)4)18-9-11-20(12-10-18)29(6-2)7-3/h8-15H,5-7,16H2,1-4H3