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

Systemtic Name: 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 4-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 4-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-7-ethyl-coumarin Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)C

InChI

InChI=1S/C16H17N3O2S/c1-4-11-5-6-13-12(8-15(20)21-14(13)7-11)9-22-16-18-17-10(2)19(16)3/h5-8H,4,9H2,1-3H3