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

Systemtic Name: 7-ethyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-ethyl-4-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-ethyl-4-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-ethyl-4-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3C(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3C(C)C

InChI

InChI=1S/C17H19N3O2S/c1-4-12-5-6-14-13(8-16(21)22-15(14)7-12)9-23-17-19-18-10-20(17)11(2)3/h5-8,10-11H,4,9H2,1-3H3