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

Systemtic Name: (3R,4S)-6-azanyl-2-azanylidene-4-(5-butylthiophen-2-yl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Openeye Name: (3R,4S)-6-amino-4-(5-butyl-2-thienyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile CAS Name: (3R,4S)-6-amino-4-(5-butyl-2-thiophenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile IUPAC Name: (3R,4S)-6-amino-4-(5-butylthiophen-2-yl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Traditional Name: (3R,4S)-6-amino-4-(5-butyl-2-thienyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Formula: C15H16N4S2 MolecularWeight: 316.44434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(S1)C2C(C(=N)SC(=C2C#N)N)C#N

Isomeric SMILES

CCCCC1=CC=C(S1)[C@H]2[C@@H](C(=N)SC(=C2C#N)N)C#N

InChI

InChI=1S/C15H16N4S2/c1-2-3-4-9-5-6-12(20-9)13-10(7-16)14(18)21-15(19)11(13)8-17/h5-6,10,13,18H,2-4,19H2,1H3/t10-,13-/m0/s1