6-chloranyl-7-ethyl-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-ethyl-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C23H22ClN3O3S2 MolecularWeight: 488.02208

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3CC4CCCO4)C5=CC=CS5)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3CC4CCCO4)C5=CC=CS5)Cl

InChI

InChI=1S/C23H22ClN3O3S2/c1-2-14-9-19-17(11-18(14)24)15(10-21(28)30-19)13-32-23-26-25-22(20-6-4-8-31-20)27(23)12-16-5-3-7-29-16/h4,6,8-11,16H,2-3,5,7,12-13H2,1H3