7-(diethylamino)-3-[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]chromen-2-one

Systemtic Name: 7-(diethylamino)-3-[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]chromen-2-one Openeye Name: 3-[5-(benzylamino)-1,3,4-thiadiazol-2-yl]-7-(diethylamino)chromen-2-one CAS Name: 7-(diethylamino)-3-[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]-1-benzopyran-2-one IUPAC Name: 3-[5-(benzylamino)-1,3,4-thiadiazol-2-yl]-7-(diethylamino)chromen-2-one Traditional Name: 3-[5-(benzylamino)-1,3,4-thiadiazol-2-yl]-7-(diethylamino)coumarin Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NN=C(S3)NCC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NN=C(S3)NCC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S/c1-3-26(4-2)17-11-10-16-12-18(21(27)28-19(16)13-17)20-24-25-22(29-20)23-14-15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3,(H,23,25)