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

Systemtic Name: 4-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]methyl]-6,7-dimethyl-coumarin Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CC4)N5CCCCC5)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CC4)N5CCCCC5)C

InChI

InChI=1S/C22H26N4O2S/c1-14-10-18-16(12-20(27)28-19(18)11-15(14)2)13-29-22-24-23-21(26(22)17-6-7-17)25-8-4-3-5-9-25/h10-12,17H,3-9,13H2,1-2H3