4-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-cyclopropyl-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[4-cyclopropyl-5-(4-methyl-1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[4-cyclopropyl-5-(4-methylpiperidino)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-coumarin Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=CC(=O)OC5=CC(=C(C=C45)C)C

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=CC(=O)OC5=CC(=C(C=C45)C)C

InChI

InChI=1S/C23H28N4O2S/c1-14-6-8-26(9-7-14)22-24-25-23(27(22)18-4-5-18)30-13-17-12-21(28)29-20-11-16(3)15(2)10-19(17)20/h10-12,14,18H,4-9,13H2,1-3H3