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

Systemtic Name: 6,7-dimethyl-4-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]-6,7-dimethyl-coumarin Formula: C20H17N3O2S2 MolecularWeight: 395.49788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NC4=CC=CC=C4)C

InChI

InChI=1S/C20H17N3O2S2/c1-12-8-16-14(10-18(24)25-17(16)9-13(12)2)11-26-20-23-22-19(27-20)21-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H,21,22)