(2S)-2-[(5-azanylidene-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanyl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one

Systemtic Name: (2S)-2-[(5-azanylidene-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanyl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one Openeye Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanyl]propan-1-one CAS Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)thio]-1-propanone IUPAC Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanyl]propan-1-one Traditional Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)thio]propan-1-one Formula: C13H15N4O2S2- MolecularWeight: 323.4138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SC2=N[N-]C(=N)S2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)SC2=N[N-]C(=N)S2

InChI

InChI=1S/C13H16N4O2S2/c1-5-9(7(3)18)6(2)15-10(5)11(19)8(4)20-13-17-16-12(14)21-13/h8H,1-4H3,(H3,14,15,16,18,19)/p-1/t8-/m0/s1