4-(3-methylbutylsulfanyl)-3-nitro-N-prop-2-ynyl-benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-prop-2-ynyl-benzamide Openeye Name: 4-isopentylsulfanyl-3-nitro-N-prop-2-ynyl-benzamide CAS Name: 4-(3-methylbutylthio)-3-nitro-N-prop-2-ynylbenzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-prop-2-ynylbenzamide Traditional Name: 4-(isoamylthio)-3-nitro-N-propargyl-benzamide Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC#C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC#C)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O3S/c1-4-8-16-15(18)12-5-6-14(13(10-12)17(19)20)21-9-7-11(2)3/h1,5-6,10-11H,7-9H2,2-3H3,(H,16,18)