(3R,4R,5R)-5-nitro-6-oxidanyl-4,6-diphenyl-2-sulfanylidene-piperidine-3-carbonitrile

Systemtic Name: (3R,4R,5R)-5-nitro-6-oxidanyl-4,6-diphenyl-2-sulfanylidene-piperidine-3-carbonitrile Openeye Name: (3R,4R,5R)-6-hydroxy-5-nitro-4,6-diphenyl-2-thioxo-piperidine-3-carbonitrile CAS Name: (3R,4R,5R)-6-hydroxy-5-nitro-4,6-diphenyl-2-sulfanylidene-3-piperidinecarbonitrile IUPAC Name: (3R,4R,5R)-6-hydroxy-5-nitro-4,6-diphenyl-2-sulfanylidenepiperidine-3-carbonitrile Traditional Name: (3R,4R,5R)-6-hydroxy-5-nitro-4,6-diphenyl-2-thioxo-nipecotonitrile Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=S)NC(C2[N+](=O)[O-])(C3=CC=CC=C3)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2[C@@H](C(=S)NC([C@@H]2[N+](=O)[O-])(C3=CC=CC=C3)O)C#N

InChI

InChI=1S/C18H15N3O3S/c19-11-14-15(12-7-3-1-4-8-12)16(21(23)24)18(22,20-17(14)25)13-9-5-2-6-10-13/h1-10,14-16,22H,(H,20,25)/t14-,15-,16+,18?/m0/s1