5-tert-butyl-3-(4-chloranyl-2-methyl-5-prop-2-ynoxy-phenyl)-1,3,4-thiadiazol-2-one

Systemtic Name: 5-tert-butyl-3-(4-chloranyl-2-methyl-5-prop-2-ynoxy-phenyl)-1,3,4-thiadiazol-2-one Openeye Name: 5-tert-butyl-3-(4-chloro-2-methyl-5-prop-2-ynoxy-phenyl)-1,3,4-thiadiazol-2-one CAS Name: 5-tert-butyl-3-(4-chloro-2-methyl-5-prop-2-ynoxyphenyl)-1,3,4-thiadiazol-2-one IUPAC Name: 5-tert-butyl-3-(4-chloro-2-methyl-5-prop-2-ynoxyphenyl)-1,3,4-thiadiazol-2-one Traditional Name: 5-tert-butyl-3-(4-chloro-2-methyl-5-propargyloxy-phenyl)-1,3,4-thiadiazol-2-one Formula: C16H17ClN2O2S MolecularWeight: 336.83638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N2C(=O)SC(=N2)C(C)(C)C)OCC#C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1N2C(=O)SC(=N2)C(C)(C)C)OCC#C)Cl

InChI

InChI=1S/C16H17ClN2O2S/c1-6-7-21-13-9-12(10(2)8-11(13)17)19-15(20)22-14(18-19)16(3,4)5/h1,8-9H,7H2,2-5H3