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

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C25H25ClN4O2S MolecularWeight: 481.0096

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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)CN5CCCCC5)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C4=CC=CC=C4)CN5CCCCC5)Cl

InChI

InChI=1S/C25H25ClN4O2S/c1-17-12-22-20(14-21(17)26)18(13-24(31)32-22)16-33-25-28-27-23(15-29-10-6-3-7-11-29)30(25)19-8-4-2-5-9-19/h2,4-5,8-9,12-14H,3,6-7,10-11,15-16H2,1H3