(5E)-5-(3-azanyl-7-chloranyl-isoindol-1-ylidene)-2-hexylimino-1,3-thiazol-4-amine hydrochloride

Systemtic Name: (5E)-5-(3-azanyl-7-chloranyl-isoindol-1-ylidene)-2-hexylimino-1,3-thiazol-4-amine hydrochloride Openeye Name: (5E)-5-(3-amino-7-chloro-isoindol-1-ylidene)-2-hexylimino-thiazol-4-amine hydrochloride CAS Name: (5E)-5-(3-amino-7-chloro-1-isoindolylidene)-2-hexylimino-4-thiazolamine hydrochloride IUPAC Name: (5E)-5-(3-amino-7-chloroisoindol-1-ylidene)-2-hexylimino-1,3-thiazol-4-amine hydrochloride Traditional Name: [(5E)-5-(3-amino-7-chloro-isoindol-1-ylidene)-2-hexylimino-3-thiazolin-4-yl]amine hydrochloride Formula: C17H21Cl2N5S MolecularWeight: 398.35314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN=C1N=C(C(=C2C3=C(C=CC=C3Cl)C(=N2)N)S1)N.Cl

Isomeric SMILES

CCCCCCN=C1N=C(/C(=C\2/C3=C(C=CC=C3Cl)C(=N2)N)/S1)N.Cl

InChI

InChI=1S/C17H20ClN5S.ClH/c1-2-3-4-5-9-21-17-23-16(20)14(24-17)13-12-10(15(19)22-13)7-6-8-11(12)18;/h6-8H,2-5,9H2,1H3,(H2,19,22)(H2,20,21,23);1H/b14-13+;