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

Systemtic Name: 4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-methyl-coumarin Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NC4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NC4CCCCC4

InChI

InChI=1S/C19H21N3O2S2/c1-12-7-8-15-13(10-17(23)24-16(15)9-12)11-25-19-22-21-18(26-19)20-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,20,21)