[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-methyl-phenyl] thiocyanate

Systemtic Name: [4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-3-methylphenyl] ester IUPAC Name: [4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-3-methyl-phenyl] ester Formula: C17H13N3OS3 MolecularWeight: 371.49962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H13N3OS3/c1-11-8-12(23-10-18)6-7-13(11)19-16(21)9-22-17-20-14-4-2-3-5-15(14)24-17/h2-8H,9H2,1H3,(H,19,21)