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

Systemtic Name: 6-chloranyl-7-ethyl-4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C20H18ClN3O2S2 MolecularWeight: 431.95882

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3CC)C4=CC=CS4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3CC)C4=CC=CS4)Cl

InChI

InChI=1S/C20H18ClN3O2S2/c1-3-12-8-16-14(10-15(12)21)13(9-18(25)26-16)11-28-20-23-22-19(24(20)4-2)17-6-5-7-27-17/h5-10H,3-4,11H2,1-2H3