4-[2-[(2-bromanyl-4-methyl-phenyl)amino]-1,3-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboximidamide hydrochloride

Systemtic Name: 4-[2-[(2-bromanyl-4-methyl-phenyl)amino]-1,3-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboximidamide hydrochloride Openeye Name: 4-[2-(2-bromo-4-methyl-anilino)thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamidine hydrochloride CAS Name: 4-[2-(2-bromo-4-methylanilino)-4-thiazolyl]-5-(methylthio)-2-thiophenecarboximidamide hydrochloride IUPAC Name: 4-[2-(2-bromo-4-methylanilino)-1,3-thiazol-4-yl]-5-methylsulfanylthiophene-2-carboximidamide hydrochloride Traditional Name: 4-[2-(2-bromo-4-methyl-anilino)thiazol-4-yl]-5-(methylthio)thiophene-2-carboxamidine hydrochloride Formula: C16H16BrClN4S3 MolecularWeight: 475.87704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NC(=CS2)C3=C(SC(=C3)C(=N)N)SC)Br.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NC(=CS2)C3=C(SC(=C3)C(=N)N)SC)Br.Cl

InChI

InChI=1S/C16H15BrN4S3.ClH/c1-8-3-4-11(10(17)5-8)20-16-21-12(7-23-16)9-6-13(14(18)19)24-15(9)22-2;/h3-7H,1-2H3,(H3,18,19)(H,20,21);1H