(3S,4S)-4-(4-bromophenyl)-6-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-piperidine-3-carbonitrile

Systemtic Name: (3S,4S)-4-(4-bromophenyl)-6-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-piperidine-3-carbonitrile Openeye Name: (3S,4S)-3-allyl-4-(4-bromophenyl)-6-oxo-2-thioxo-piperidine-3-carbonitrile CAS Name: (3S,4S)-4-(4-bromophenyl)-6-oxo-3-prop-2-enyl-2-sulfanylidene-3-piperidinecarbonitrile IUPAC Name: (3S,4S)-4-(4-bromophenyl)-6-oxo-3-prop-2-enyl-2-sulfanylidenepiperidine-3-carbonitrile Traditional Name: (3S,4S)-3-allyl-4-(4-bromophenyl)-6-keto-2-thioxo-nipecotonitrile Formula: C15H13BrN2OS MolecularWeight: 349.24552

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C(CC(=O)NC1=S)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

C=CC[C@]1([C@@H](CC(=O)NC1=S)C2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C15H13BrN2OS/c1-2-7-15(9-17)12(8-13(19)18-14(15)20)10-3-5-11(16)6-4-10/h2-6,12H,1,7-8H2,(H,18,19,20)/t12-,15+/m0/s1