(3S,4S)-6-azanyl-2-azanylidene-4-(5-chloranyl-2-nitro-phenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile

Systemtic Name: (3S,4S)-6-azanyl-2-azanylidene-4-(5-chloranyl-2-nitro-phenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Openeye Name: (3S,4S)-6-amino-4-(5-chloro-2-nitro-phenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile CAS Name: (3S,4S)-6-amino-4-(5-chloro-2-nitrophenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile IUPAC Name: (3S,4S)-6-amino-4-(5-chloro-2-nitrophenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Traditional Name: (3S,4S)-6-amino-4-(5-chloro-2-nitro-phenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Formula: C13H8ClN5O2S MolecularWeight: 333.75292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C2C(C(=N)SC(=C2C#N)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)[C@@H]2[C@H](C(=N)SC(=C2C#N)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H8ClN5O2S/c14-6-1-2-10(19(20)21)7(3-6)11-8(4-15)12(17)22-13(18)9(11)5-16/h1-3,8,11,17H,18H2/t8-,11-/m1/s1