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

Systemtic Name: 7-methyl-6-propan-2-yl-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 7-methyl-6-propan-2-yl-4-[[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-6-propan-2-yl-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 4-[[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S2/c1-5-6-20-18-21-22-19(26-18)25-10-13-8-17(23)24-16-7-12(4)14(11(2)3)9-15(13)16/h5,7-9,11H,1,6,10H2,2-4H3,(H,20,21)