7-methyl-6-propan-2-yl-4-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methyl-6-propan-2-yl-4-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-6-propan-2-yl-4-[[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-6-propan-2-yl-4-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=N3)CC4=CC=CS4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=N3)CC4=CC=CS4)C(C)C

InChI

InChI=1S/C21H21N3O2S2/c1-12(2)16-10-17-14(8-20(25)26-18(17)7-13(16)3)11-28-21-22-19(23-24-21)9-15-5-4-6-27-15/h4-8,10,12H,9,11H2,1-3H3,(H,22,23,24)