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

Systemtic Name: (3S,4S)-6-azanyl-2-azanylidene-4-(5-bromanyl-2-methoxy-phenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Openeye Name: (3S,4S)-6-amino-4-(5-bromo-2-methoxy-phenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile CAS Name: (3S,4S)-6-amino-4-(5-bromo-2-methoxyphenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile IUPAC Name: (3S,4S)-6-amino-4-(5-bromo-2-methoxyphenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Traditional Name: (3S,4S)-6-amino-4-(5-bromo-2-methoxy-phenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Formula: C14H11BrN4OS MolecularWeight: 363.23234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2C(C(=N)SC(=C2C#N)N)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)[C@@H]2[C@H](C(=N)SC(=C2C#N)N)C#N

InChI

InChI=1S/C14H11BrN4OS/c1-20-11-3-2-7(15)4-8(11)12-9(5-16)13(18)21-14(19)10(12)6-17/h2-4,9,12,18H,19H2,1H3/t9-,12-/m1/s1