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

Systemtic Name: 7-ethyl-4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-ethyl-4-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-ethyl-4-[[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-ethyl-4-[[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC)C4=CC=CS4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC)C4=CC=CS4

InChI

InChI=1S/C20H19N3O2S2/c1-3-13-7-8-15-14(11-18(24)25-16(15)10-13)12-27-20-22-21-19(23(20)4-2)17-6-5-9-26-17/h5-11H,3-4,12H2,1-2H3