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

Systemtic Name: 8-methyl-4-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3C4=CC=CC=C4)N5CCOCC5)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3C4=CC=CC=C4)N5CCOCC5)O

InChI

InChI=1S/C23H22N4O4S/c1-15-19(28)8-7-18-16(13-20(29)31-21(15)18)14-32-23-25-24-22(26-9-11-30-12-10-26)27(23)17-5-3-2-4-6-17/h2-8,13,28H,9-12,14H2,1H3