7-azanyl-5,6-diethyl-3-(4-isothiocyanatophenyl)-4-methyl-chromen-2-one

Systemtic Name: 7-azanyl-5,6-diethyl-3-(4-isothiocyanatophenyl)-4-methyl-chromen-2-one Openeye Name: 7-amino-5,6-diethyl-3-(4-isothiocyanatophenyl)-4-methyl-chromen-2-one CAS Name: 7-amino-5,6-diethyl-3-(4-isothiocyanatophenyl)-4-methyl-1-benzopyran-2-one IUPAC Name: 7-amino-5,6-diethyl-3-(4-isothiocyanatophenyl)-4-methylchromen-2-one Traditional Name: 7-amino-5,6-diethyl-3-(4-isothiocyanatophenyl)-4-methyl-coumarin Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C1N)OC(=O)C(=C2C)C3=CC=C(C=C3)N=C=S)CC

Isomeric SMILES

CCC1=C(C2=C(C=C1N)OC(=O)C(=C2C)C3=CC=C(C=C3)N=C=S)CC

InChI

InChI=1S/C21H20N2O2S/c1-4-15-16(5-2)20-12(3)19(21(24)25-18(20)10-17(15)22)13-6-8-14(9-7-13)23-11-26/h6-10H,4-5,22H2,1-3H3