[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]-4-oxidanyl-phenyl] thiocyanate

Systemtic Name: [3-methyl-5-[(4-methylpiperazin-1-yl)methyl]-4-oxidanyl-phenyl] thiocyanate Openeye Name: [4-hydroxy-3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl] thiocyanate CAS Name: thiocyanic acid [4-hydroxy-3-methyl-5-[(4-methyl-1-piperazinyl)methyl]phenyl] ester IUPAC Name: [4-hydroxy-3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-hydroxy-3-methyl-5-[(4-methylpiperazino)methyl]phenyl] ester Formula: C14H19N3OS MolecularWeight: 277.38516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)CN2CCN(CC2)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1O)CN2CCN(CC2)C)SC#N

InChI

InChI=1S/C14H19N3OS/c1-11-7-13(19-10-15)8-12(14(11)18)9-17-5-3-16(2)4-6-17/h7-8,18H,3-6,9H2,1-2H3