(3S,4R)-6-azanyl-2-azanylidene-4-(4-bromanyl-5-methyl-thiophen-2-yl)-3,4-dihydrothiopyran-3,5-dicarbonitrile

Systemtic Name: (3S,4R)-6-azanyl-2-azanylidene-4-(4-bromanyl-5-methyl-thiophen-2-yl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Openeye Name: (3S,4R)-6-amino-4-(4-bromo-5-methyl-2-thienyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile CAS Name: (3S,4R)-6-amino-4-(4-bromo-5-methyl-2-thiophenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile IUPAC Name: (3S,4R)-6-amino-4-(4-bromo-5-methylthiophen-2-yl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Traditional Name: (3S,4R)-6-amino-4-(4-bromo-5-methyl-2-thienyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Formula: C12H9BrN4S2 MolecularWeight: 353.26066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2C(C(=N)SC(=C2C#N)N)C#N)Br

Isomeric SMILES

CC1=C(C=C(S1)[C@@H]2[C@H](C(=N)SC(=C2C#N)N)C#N)Br

InChI

InChI=1S/C12H9BrN4S2/c1-5-8(13)2-9(18-5)10-6(3-14)11(16)19-12(17)7(10)4-15/h2,6,10,16H,17H2,1H3/t6-,10-/m1/s1