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

Systemtic Name: 7-methyl-4-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(S3)NC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(S3)NC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C22H21N3O2S2/c1-13(2)17-11-18-15(10-20(26)27-19(18)9-14(17)3)12-28-22-25-24-21(29-22)23-16-7-5-4-6-8-16/h4-11,13H,12H2,1-3H3,(H,23,24)