(3R,4S)-6-azanyl-2-azanylidene-4-(4-butoxyphenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile

Systemtic Name: (3R,4S)-6-azanyl-2-azanylidene-4-(4-butoxyphenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Openeye Name: (3R,4S)-6-amino-4-(4-butoxyphenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile CAS Name: (3R,4S)-6-amino-4-(4-butoxyphenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile IUPAC Name: (3R,4S)-6-amino-4-(4-butoxyphenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Traditional Name: (3R,4S)-6-amino-4-(4-butoxyphenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(C(=N)SC(=C2C#N)N)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@@H]2[C@@H](C(=N)SC(=C2C#N)N)C#N

InChI

InChI=1S/C17H18N4OS/c1-2-3-8-22-12-6-4-11(5-7-12)15-13(9-18)16(20)23-17(21)14(15)10-19/h4-7,13,15,20H,2-3,8,21H2,1H3/t13-,15+/m0/s1