(3S,4S)-6-azanyl-2-azanylidene-4-(5-bromanyl-2-ethoxy-phenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile

Systemtic Name: (3S,4S)-6-azanyl-2-azanylidene-4-(5-bromanyl-2-ethoxy-phenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Openeye Name: (3S,4S)-6-amino-4-(5-bromo-2-ethoxy-phenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile CAS Name: (3S,4S)-6-amino-4-(5-bromo-2-ethoxyphenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile IUPAC Name: (3S,4S)-6-amino-4-(5-bromo-2-ethoxyphenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Traditional Name: (3S,4S)-6-amino-4-(5-bromo-2-ethoxy-phenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Formula: C15H13BrN4OS MolecularWeight: 377.25892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C2C(C(=N)SC(=C2C#N)N)C#N

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)[C@@H]2[C@H](C(=N)SC(=C2C#N)N)C#N

InChI

InChI=1S/C15H13BrN4OS/c1-2-21-12-4-3-8(16)5-9(12)13-10(6-17)14(19)22-15(20)11(13)7-18/h3-5,10,13,19H,2,20H2,1H3/t10-,13-/m1/s1