6-chloranyl-7-methyl-4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C24H23ClN4O2S MolecularWeight: 466.98302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C4=CC=CC=C4)CN5CCCC5)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C4=CC=CC=C4)CN5CCCC5)Cl

InChI

InChI=1S/C24H23ClN4O2S/c1-16-11-21-19(13-20(16)25)17(12-23(30)31-21)15-32-24-27-26-22(14-28-9-5-6-10-28)29(24)18-7-3-2-4-8-18/h2-4,7-8,11-13H,5-6,9-10,14-15H2,1H3