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

Systemtic Name: (3S,4S)-6-azanyl-2-azanylidene-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Openeye Name: (3S,4S)-6-amino-4-(4-bromo-5-ethyl-2-thienyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile CAS Name: (3S,4S)-6-amino-4-(4-bromo-5-ethyl-2-thiophenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile IUPAC Name: (3S,4S)-6-amino-4-(4-bromo-5-ethylthiophen-2-yl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Traditional Name: (3S,4S)-6-amino-4-(4-bromo-5-ethyl-2-thienyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Formula: C13H11BrN4S2 MolecularWeight: 367.28724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2C(C(=N)SC(=C2C#N)N)C#N)Br

Isomeric SMILES

CCC1=C(C=C(S1)[C@H]2[C@H](C(=N)SC(=C2C#N)N)C#N)Br

InChI

InChI=1S/C13H11BrN4S2/c1-2-9-8(14)3-10(19-9)11-6(4-15)12(17)20-13(18)7(11)5-16/h3,6,11,17H,2,18H2,1H3/t6-,11+/m1/s1