7-methyl-4-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-propan-2-yl-chromen-2-one

Systemtic Name: 7-methyl-4-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[[5-(tetrahydrofuran-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[[5-(2-oxolanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[[5-(tetrahydrofurfurylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(S3)NCC4CCCO4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(S3)NCC4CCCO4)C(C)C

InChI

InChI=1S/C21H25N3O3S2/c1-12(2)16-9-17-14(8-19(25)27-18(17)7-13(16)3)11-28-21-24-23-20(29-21)22-10-15-5-4-6-26-15/h7-9,12,15H,4-6,10-11H2,1-3H3,(H,22,23)