4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-6,7-dimethyl-coumarin Formula: C14H13N3O2S2 MolecularWeight: 319.40192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(S3)N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(S3)N)C

InChI

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