2-[[1-ethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazol-2-yl]methyl]guanidine

Systemtic Name: 2-[[1-ethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazol-2-yl]methyl]guanidine Openeye Name: 2-[[1-ethyl-4-isopropyl-5-(3-nitrophenyl)sulfanyl-imidazol-2-yl]methyl]guanidine CAS Name: 2-[[1-ethyl-5-[(3-nitrophenyl)thio]-4-propan-2-yl-2-imidazolyl]methyl]guanidine IUPAC Name: 2-[[1-ethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methyl]guanidine Traditional Name: 2-[[1-ethyl-4-isopropyl-5-[(3-nitrophenyl)thio]imidazol-2-yl]methyl]guanidine Formula: C16H22N6O2S MolecularWeight: 362.44988

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=C1SC2=CC=CC(=C2)[N+](=O)[O-])C(C)C)CN=C(N)N

Isomeric SMILES

CCN1C(=NC(=C1SC2=CC=CC(=C2)[N+](=O)[O-])C(C)C)CN=C(N)N

InChI

InChI=1S/C16H22N6O2S/c1-4-21-13(9-19-16(17)18)20-14(10(2)3)15(21)25-12-7-5-6-11(8-12)22(23)24/h5-8,10H,4,9H2,1-3H3,(H4,17,18,19)