5-[(3S,4S)-2-azanylidene-4-(4-bromophenyl)-3-cyano-3,4-dihydrothiopyran-6-yl]-6-methyl-2-methylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 5-[(3S,4S)-2-azanylidene-4-(4-bromophenyl)-3-cyano-3,4-dihydrothiopyran-6-yl]-6-methyl-2-methylsulfanyl-pyridine-3-carbonitrile Openeye Name: 5-[(3S,4S)-4-(4-bromophenyl)-3-cyano-2-imino-3,4-dihydrothiopyran-6-yl]-6-methyl-2-methylsulfanyl-pyridine-3-carbonitrile CAS Name: 5-[(3S,4S)-4-(4-bromophenyl)-3-cyano-2-imino-3,4-dihydrothiopyran-6-yl]-6-methyl-2-(methylthio)-3-pyridinecarbonitrile IUPAC Name: 5-[(3S,4S)-4-(4-bromophenyl)-3-cyano-2-imino-3,4-dihydrothiopyran-6-yl]-6-methyl-2-methylsulfanylpyridine-3-carbonitrile Traditional Name: 5-[(3S,4S)-4-(4-bromophenyl)-3-cyano-2-imino-3,4-dihydrothiopyran-6-yl]-6-methyl-2-(methylthio)nicotinonitrile Formula: C20H15BrN4S2 MolecularWeight: 455.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SC)C#N)C2=CC(C(C(=N)S2)C#N)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=C(C(=N1)SC)C#N)C2=C[C@@H]([C@H](C(=N)S2)C#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H15BrN4S2/c1-11-15(7-13(9-22)20(25-11)26-2)18-8-16(17(10-23)19(24)27-18)12-3-5-14(21)6-4-12/h3-8,16-17,24H,1-2H3/t16-,17-/m1/s1