4-chloranyl-4-oxidanylidene-butanethioic S-acid; 1,2,3-triazine

Systemtic Name: 4-chloranyl-4-oxidanylidene-butanethioic S-acid; 1,2,3-triazine Openeye Name: 4-chloro-4-oxo-butanethioic S-acid; triazine CAS Name: 4-chloro-4-oxobutanethioic S-acid; triazine IUPAC Name: 4-chloro-4-oxobutanethioic S-acid; triazine Traditional Name: 4-chloro-4-keto-thiobutyric acid; triazine Formula: C7H8ClN3O2S MolecularWeight: 233.67532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=NN=C1.C(CC(=O)Cl)C(=O)S

Isomeric SMILES

C1=CN=NN=C1.C(CC(=O)Cl)C(=O)S

InChI

InChI=1S/C4H5ClO2S.C3H3N3/c5-3(6)1-2-4(7)8;1-2-4-6-5-3-1/h1-2H2,(H,7,8);1-3H