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

Systemtic Name: 4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-6-chloro-7-methyl-coumarin Formula: C13H10ClN3O2S2 MolecularWeight: 339.8204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(S3)N)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(S3)N)Cl

InChI

InChI=1S/C13H10ClN3O2S2/c1-6-2-10-8(4-9(6)14)7(3-11(18)19-10)5-20-13-17-16-12(15)21-13/h2-4H,5H2,1H3,(H2,15,16)