7,8-dimethyl-4-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7,8-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]-7,8-dimethyl-chromen-2-one CAS Name: 7,8-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]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NCC4=CC=CC=C4)C

InChI

InChI=1S/C21H19N3O2S2/c1-13-8-9-17-16(10-18(25)26-19(17)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)