7-[(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-3-phenyl-4-propyl-chromen-2-one

Systemtic Name: 7-[(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-3-phenyl-4-propyl-chromen-2-one Openeye Name: 7-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-3-phenyl-4-propyl-chromen-2-one CAS Name: 7-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-3-phenyl-4-propyl-1-benzopyran-2-one IUPAC Name: 7-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-3-phenyl-4-propylchromen-2-one Traditional Name: 7-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]-3-phenyl-4-propyl-coumarin Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=NNC(=S)N3N)C4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=NNC(=S)N3N)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3S/c1-2-6-16-15-10-9-14(27-12-18-23-24-21(29)25(18)22)11-17(15)28-20(26)19(16)13-7-4-3-5-8-13/h3-5,7-11H,2,6,12,22H2,1H3,(H,24,29)