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

Systemtic Name: (3S,4R)-6-azanyl-2-azanylidene-4-(2,4,6-trimethyl-3-nitro-phenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Openeye Name: (3S,4R)-6-amino-2-imino-4-(2,4,6-trimethyl-3-nitro-phenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile CAS Name: (3S,4R)-6-amino-2-imino-4-(2,4,6-trimethyl-3-nitrophenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile IUPAC Name: (3S,4R)-6-amino-2-imino-4-(2,4,6-trimethyl-3-nitrophenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Traditional Name: (3S,4R)-6-amino-2-imino-4-(2,4,6-trimethyl-3-nitro-phenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C2C(C(=N)SC(=C2C#N)N)C#N)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1[C@H]2[C@H](C(=N)SC(=C2C#N)N)C#N)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H15N5O2S/c1-7-4-8(2)14(21(22)23)9(3)12(7)13-10(5-17)15(19)24-16(20)11(13)6-18/h4,10,13,19H,20H2,1-3H3/t10-,13+/m1/s1