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

Systemtic Name: 7-azanyl-3,5-diethyl-6-(4-isothiocyanatophenyl)-4-methyl-chromen-2-one Openeye Name: 7-amino-3,5-diethyl-6-(4-isothiocyanatophenyl)-4-methyl-chromen-2-one CAS Name: 7-amino-3,5-diethyl-6-(4-isothiocyanatophenyl)-4-methyl-1-benzopyran-2-one IUPAC Name: 7-amino-3,5-diethyl-6-(4-isothiocyanatophenyl)-4-methylchromen-2-one Traditional Name: 7-amino-3,5-diethyl-6-(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=C(C(=C2CC)C3=CC=C(C=C3)N=C=S)N)OC1=O)C

Isomeric SMILES

CCC1=C(C2=C(C=C(C(=C2CC)C3=CC=C(C=C3)N=C=S)N)OC1=O)C

InChI

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