[4-[[1,3-bis(oxidanylidene)isochromen-4-ylidene]methylamino]-3-methyl-phenyl] thiocyanate

Systemtic Name: [4-[[1,3-bis(oxidanylidene)isochromen-4-ylidene]methylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[(1,3-dioxoisochroman-4-ylidene)methylamino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(1,3-dioxo-3,4-dihydro-1H-2-benzopyran-4-ylidene)methylamino]-3-methylphenyl] ester IUPAC Name: [4-[(1,3-dioxoisochromen-4-ylidene)methylamino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(1,3-diketoisochroman-4-ylidene)methylamino]-3-methyl-phenyl] ester Formula: C18H12N2O3S MolecularWeight: 336.36448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC=C2C3=CC=CC=C3C(=O)OC2=O

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC=C2C3=CC=CC=C3C(=O)OC2=O

InChI

InChI=1S/C18H12N2O3S/c1-11-8-12(24-10-19)6-7-16(11)20-9-15-13-4-2-3-5-14(13)17(21)23-18(15)22/h2-9,20H,1H3