[4-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-3-methyl-phenyl] thiocyanate

Systemtic Name: [4-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]-3-methylphenyl] ester IUPAC Name: [4-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]amino]-3-methyl-phenyl] ester Formula: C17H12ClN3OS3 MolecularWeight: 405.94468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C17H12ClN3OS3/c1-10-6-12(24-9-19)3-4-13(10)20-16(22)8-23-17-21-14-7-11(18)2-5-15(14)25-17/h2-7H,8H2,1H3,(H,20,22)