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

Systemtic Name: 5-methylsulfanyl-4-[2-[(4-phenylazanylphenyl)amino]-1,3-thiazol-4-yl]thiophene-2-carboximidamide hydrochloride Openeye Name: 4-[2-(4-anilinoanilino)thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamidine hydrochloride CAS Name: 4-[2-(4-anilinoanilino)-4-thiazolyl]-5-(methylthio)-2-thiophenecarboximidamide hydrochloride IUPAC Name: 4-[2-(4-anilinoanilino)-1,3-thiazol-4-yl]-5-methylsulfanylthiophene-2-carboximidamide hydrochloride Traditional Name: 4-[2-(4-anilinoanilino)thiazol-4-yl]-5-(methylthio)thiophene-2-carboxamidine hydrochloride Formula: C21H20ClN5S3 MolecularWeight: 474.065

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=N)N)C2=CSC(=N2)NC3=CC=C(C=C3)NC4=CC=CC=C4.Cl

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)C2=CSC(=N2)NC3=CC=C(C=C3)NC4=CC=CC=C4.Cl

InChI

InChI=1S/C21H19N5S3.ClH/c1-27-20-16(11-18(29-20)19(22)23)17-12-28-21(26-17)25-15-9-7-14(8-10-15)24-13-5-3-2-4-6-13;/h2-12,24H,1H3,(H3,22,23)(H,25,26);1H