2,7-dimethyl-5-sulfanylidene-6H-1,2,4-triazepin-3-one

Systemtic Name: 2,7-dimethyl-5-sulfanylidene-6H-1,2,4-triazepin-3-one Openeye Name: 2,7-dimethyl-5-thioxo-6H-1,2,4-triazepin-3-one CAS Name: 2,7-dimethyl-5-sulfanylidene-6H-1,2,4-triazepin-3-one IUPAC Name: 2,7-dimethyl-5-sulfanylidene-6H-1,2,4-triazepin-3-one Traditional Name: 2,7-dimethyl-5-thioxo-6H-1,2,4-triazepin-3-one Formula: C6H9N3OS MolecularWeight: 171.22016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)NC(=S)C1)C

Isomeric SMILES

CC1=NN(C(=O)NC(=S)C1)C

InChI

InChI=1S/C6H9N3OS/c1-4-3-5(11)7-6(10)9(2)8-4/h3H2,1-2H3,(H,7,10,11)