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

Systemtic Name: 6,7-dimethyl-4-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 6,7-dimethyl-4-[[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-6,7-dimethyl-coumarin Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NCC4=CC=CC=C4)C

InChI

InChI=1S/C21H19N3O2S2/c1-13-8-17-16(10-19(25)26-18(17)9-14(13)2)12-27-21-24-23-20(28-21)22-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,22,23)