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

Systemtic Name: 6-chloranyl-7-ethyl-4-[[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[[1-(2-thienylmethyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[[1-(thiophen-2-ylmethyl)-5-tetrazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[[1-(2-thenyl)tetrazol-5-yl]thio]methyl]coumarin Formula: C18H15ClN4O2S2 MolecularWeight: 418.9203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=NN3CC4=CC=CS4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=NN3CC4=CC=CS4)Cl

InChI

InChI=1S/C18H15ClN4O2S2/c1-2-11-6-16-14(8-15(11)19)12(7-17(24)25-16)10-27-18-20-21-22-23(18)9-13-4-3-5-26-13/h3-8H,2,9-10H2,1H3