[1-[2-(2-chloranylethanoylamino)-4-methyl-phenyl]pyrrol-2-yl] thiocyanate

Systemtic Name: [1-[2-(2-chloranylethanoylamino)-4-methyl-phenyl]pyrrol-2-yl] thiocyanate Openeye Name: [1-[2-[(2-chloroacetyl)amino]-4-methyl-phenyl]pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [1-[2-[(2-chloro-1-oxoethyl)amino]-4-methylphenyl]-2-pyrrolyl] ester IUPAC Name: [1-[2-[(2-chloroacetyl)amino]-4-methylphenyl]pyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [1-[2-[(2-chloroacetyl)amino]-4-methyl-phenyl]pyrrol-2-yl] ester Formula: C14H12ClN3OS MolecularWeight: 305.78258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CC=C2SC#N)NC(=O)CCl

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC=C2SC#N)NC(=O)CCl

InChI

InChI=1S/C14H12ClN3OS/c1-10-4-5-12(11(7-10)17-13(19)8-15)18-6-2-3-14(18)20-9-16/h2-7H,8H2,1H3,(H,17,19)