[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-prop-2-enyl-imidazol-2-yl]methyl carbamate

Systemtic Name: [5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-prop-2-enyl-imidazol-2-yl]methyl carbamate Openeye Name: [1-allyl-4-isopropyl-5-(3-nitrophenyl)sulfanyl-imidazol-2-yl]methyl carbamate CAS Name: carbamic acid [5-[(3-nitrophenyl)thio]-4-propan-2-yl-1-prop-2-enyl-2-imidazolyl]methyl ester IUPAC Name: [5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-prop-2-enylimidazol-2-yl]methyl carbamate Traditional Name: carbamic acid [1-allyl-4-isopropyl-5-[(3-nitrophenyl)thio]imidazol-2-yl]methyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C(=N1)COC(=O)N)CC=C)SC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(N(C(=N1)COC(=O)N)CC=C)SC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4S/c1-4-8-20-14(10-25-17(18)22)19-15(11(2)3)16(20)26-13-7-5-6-12(9-13)21(23)24/h4-7,9,11H,1,8,10H2,2-3H3,(H2,18,22)