[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-3,5-dimethyl-phenyl] thiocyanate

Systemtic Name: [4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-3,5-dimethyl-phenyl] ester Formula: C18H16N4OS2 MolecularWeight: 368.47584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=NC3=CC=CC=C3N2)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=NC3=CC=CC=C3N2)C)SC#N

InChI

InChI=1S/C18H16N4OS2/c1-11-7-13(25-10-19)8-12(2)17(11)22-16(23)9-24-18-20-14-5-3-4-6-15(14)21-18/h3-8H,9H2,1-2H3,(H,20,21)(H,22,23)