(2S)-2-[(5-azanylidene-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide

Systemtic Name: (2S)-2-[(5-azanylidene-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide Openeye Name: (2S)-2-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanyl]-N-(m-tolyl)propanamide CAS Name: (2S)-2-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)thio]-N-(3-methylphenyl)propanamide IUPAC Name: (2S)-2-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide Traditional Name: (2S)-2-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)thio]-N-(m-tolyl)propionamide Formula: C12H13N4OS2- MolecularWeight: 293.38782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=N[N-]C(=N)S2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)SC2=N[N-]C(=N)S2

InChI

InChI=1S/C12H14N4OS2/c1-7-4-3-5-9(6-7)14-10(17)8(2)18-12-16-15-11(13)19-12/h3-6,8H,1-2H3,(H3,13,14,15,17)/p-1/t8-/m0/s1