7-methyl-4-[[5-[(2-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methyl-4-[[5-[(2-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-methyl-4-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-methyl-4-[[[5-(o-toluidino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C20H17N3O2S2 MolecularWeight: 395.49788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NC4=CC=CC=C4C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NC4=CC=CC=C4C

InChI

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