[3-methyl-4-(2-quinazolin-4-ylsulfanylethanoylamino)phenyl] thiocyanate

Systemtic Name: [3-methyl-4-(2-quinazolin-4-ylsulfanylethanoylamino)phenyl] thiocyanate Openeye Name: [3-methyl-4-[(2-quinazolin-4-ylsulfanylacetyl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[[1-oxo-2-(4-quinazolinylthio)ethyl]amino]phenyl] ester IUPAC Name: [3-methyl-4-[(2-quinazolin-4-ylsulfanylacetyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-methyl-4-[[2-(quinazolin-4-ylthio)acetyl]amino]phenyl] ester Formula: C18H14N4OS2 MolecularWeight: 366.45996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C18H14N4OS2/c1-12-8-13(25-10-19)6-7-15(12)22-17(23)9-24-18-14-4-2-3-5-16(14)20-11-21-18/h2-8,11H,9H2,1H3,(H,22,23)