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

Systemtic Name: 4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-chloranyl-7-ethyl-chromen-2-one Openeye Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-chloro-7-ethyl-chromen-2-one CAS Name: 4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-6-chloro-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-chloro-7-ethylchromen-2-one Traditional Name: 4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-6-chloro-7-ethyl-coumarin Formula: C14H12ClN3O2S2 MolecularWeight: 353.84698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(S3)N)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(S3)N)Cl

InChI

InChI=1S/C14H12ClN3O2S2/c1-2-7-3-11-9(5-10(7)15)8(4-12(19)20-11)6-21-14-18-17-13(16)22-14/h3-5H,2,6H2,1H3,(H2,16,17)