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

Systemtic Name: 4-[2-[[2-(bromomethyl)phenyl]amino]-1,3-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-[2-[2-(bromomethyl)anilino]thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[2-[2-(bromomethyl)anilino]-4-thiazolyl]-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[2-[2-(bromomethyl)anilino]-1,3-thiazol-4-yl]-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[2-[2-(bromomethyl)anilino]thiazol-4-yl]-5-(methylthio)thiophene-2-carboxamidine Formula: C16H15BrN4S3 MolecularWeight: 439.4161

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=N)N)C2=CSC(=N2)NC3=CC=CC=C3CBr

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)C2=CSC(=N2)NC3=CC=CC=C3CBr

InChI

InChI=1S/C16H15BrN4S3/c1-22-15-10(6-13(24-15)14(18)19)12-8-23-16(21-12)20-11-5-3-2-4-9(11)7-17/h2-6,8H,7H2,1H3,(H3,18,19)(H,20,21)