6,7-dimethyl-4-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=CN3CCC4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=CN3CCC4=CC=CS4)C

InChI

InChI=1S/C20H19N3O2S2/c1-13-8-17-15(10-19(24)25-18(17)9-14(13)2)11-27-20-22-21-12-23(20)6-5-16-4-3-7-26-16/h3-4,7-10,12H,5-6,11H2,1-2H3