5-[[5-(3-bromophenyl)-5-methyl-2-oxidanylidene-oxolan-3-yl]amino]-3-methylsulfanyl-1H-pyrazole-4-carbonitrile

Systemtic Name: 5-[[5-(3-bromophenyl)-5-methyl-2-oxidanylidene-oxolan-3-yl]amino]-3-methylsulfanyl-1H-pyrazole-4-carbonitrile Openeye Name: 5-[[5-(3-bromophenyl)-5-methyl-2-oxo-tetrahydrofuran-3-yl]amino]-3-methylsulfanyl-1H-pyrazole-4-carbonitrile CAS Name: 5-[[5-(3-bromophenyl)-5-methyl-2-oxo-3-oxolanyl]amino]-3-(methylthio)-1H-pyrazole-4-carbonitrile IUPAC Name: 5-[[5-(3-bromophenyl)-5-methyl-2-oxooxolan-3-yl]amino]-3-methylsulfanyl-1H-pyrazole-4-carbonitrile Traditional Name: 5-[[5-(3-bromophenyl)-2-keto-5-methyl-tetrahydrofuran-3-yl]amino]-3-(methylthio)-1H-pyrazole-4-carbonitrile Formula: C16H15BrN4O2S MolecularWeight: 407.2849

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(=O)O1)NC2=C(C(=NN2)SC)C#N)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1(CC(C(=O)O1)NC2=C(C(=NN2)SC)C#N)C3=CC(=CC=C3)Br

InChI

InChI=1S/C16H15BrN4O2S/c1-16(9-4-3-5-10(17)6-9)7-12(15(22)23-16)19-13-11(8-18)14(24-2)21-20-13/h3-6,12H,7H2,1-2H3,(H2,19,20,21)