prop-2-enyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamodithioate

Systemtic Name: prop-2-enyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamodithioate Openeye Name: allyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamodithioate CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)carbamodithioic acid prop-2-enyl ester IUPAC Name: prop-2-enyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamodithioate Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)carbamodithioic acid allyl ester Formula: C11H9N3O2S3 MolecularWeight: 311.40306

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC(=S)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCSC(=S)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O2S3/c1-2-5-18-11(17)13-10-12-8-4-3-7(14(15)16)6-9(8)19-10/h2-4,6H,1,5H2,(H,12,13,17)