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

Systemtic Name: 5-methylsulfanyl-4-[2-[(4-phenyldiazenylphenyl)amino]-1,3-thiazol-4-yl]thiophene-2-carboximidamide hydrochloride Openeye Name: 5-methylsulfanyl-4-[2-(4-phenylazoanilino)thiazol-4-yl]thiophene-2-carboxamidine hydrochloride CAS Name: 5-(methylthio)-4-[2-(4-phenyldiazenylanilino)-4-thiazolyl]-2-thiophenecarboximidamide hydrochloride IUPAC Name: 5-methylsulfanyl-4-[2-(4-phenyldiazenylanilino)-1,3-thiazol-4-yl]thiophene-2-carboximidamide hydrochloride Traditional Name: 5-(methylthio)-4-[2-(4-phenylazoanilino)thiazol-4-yl]thiophene-2-carboxamidine hydrochloride Formula: C21H19ClN6S3 MolecularWeight: 487.06376

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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)N=NC4=CC=CC=C4.Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H18N6S3.ClH/c1-28-20-16(11-18(30-20)19(22)23)17-12-29-21(25-17)24-13-7-9-15(10-8-13)27-26-14-5-3-2-4-6-14;/h2-12H,1H3,(H3,22,23)(H,24,25);1H