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

Systemtic Name: 4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-7-ethyl-coumarin Formula: C14H13N3O2S2 MolecularWeight: 319.40192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)N

InChI

InChI=1S/C14H13N3O2S2/c1-2-8-3-4-10-9(6-12(18)19-11(10)5-8)7-20-14-17-16-13(15)21-14/h3-6H,2,7H2,1H3,(H2,15,16)