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

Systemtic Name: 6-chloranyl-7-ethyl-4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3CC)C4=CC=NC=C4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3CC)C4=CC=NC=C4)Cl

InChI

InChI=1S/C21H19ClN4O2S/c1-3-13-9-18-16(11-17(13)22)15(10-19(27)28-18)12-29-21-25-24-20(26(21)4-2)14-5-7-23-8-6-14/h5-11H,3-4,12H2,1-2H3