(4S,5R,6R)-2-azanylidene-4-(2-chlorophenyl)-5-nitro-6-thiophen-2-yl-thiane-3-carbonitrile

Systemtic Name: (4S,5R,6R)-2-azanylidene-4-(2-chlorophenyl)-5-nitro-6-thiophen-2-yl-thiane-3-carbonitrile Openeye Name: (4S,5R,6R)-4-(2-chlorophenyl)-2-imino-5-nitro-6-(2-thienyl)tetrahydrothiopyran-3-carbonitrile CAS Name: (4S,5R,6R)-4-(2-chlorophenyl)-2-imino-5-nitro-6-thiophen-2-yl-3-thianecarbonitrile IUPAC Name: (4S,5R,6R)-4-(2-chlorophenyl)-2-imino-5-nitro-6-thiophen-2-ylthiane-3-carbonitrile Traditional Name: (4S,5R,6R)-4-(2-chlorophenyl)-2-imino-5-nitro-6-(2-thienyl)tetrahydrothiopyran-3-carbonitrile Formula: C16H12ClN3O2S2 MolecularWeight: 377.86838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2C(C(=N)SC(C2[N+](=O)[O-])C3=CC=CS3)C#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)[C@H]2[C@H]([C@@H](SC(=N)C2C#N)C3=CC=CS3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H12ClN3O2S2/c17-11-5-2-1-4-9(11)13-10(8-18)16(19)24-15(14(13)20(21)22)12-6-3-7-23-12/h1-7,10,13-15,19H/t10?,13-,14-,15+/m1/s1