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

Systemtic Name: 2-[[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]methyl]guanidine Openeye Name: 2-[[4-isopropyl-5-(3-nitrophenyl)sulfanyl-1-(4-pyridylmethyl)imidazol-2-yl]methyl]guanidine CAS Name: 2-[[5-[(3-nitrophenyl)thio]-4-propan-2-yl-1-(pyridin-4-ylmethyl)-2-imidazolyl]methyl]guanidine IUPAC Name: 2-[[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]methyl]guanidine Traditional Name: 2-[[4-isopropyl-5-[(3-nitrophenyl)thio]-1-(4-pyridylmethyl)imidazol-2-yl]methyl]guanidine Formula: C20H23N7O2S MolecularWeight: 425.50732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C(=N1)CN=C(N)N)CC2=CC=NC=C2)SC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(N(C(=N1)CN=C(N)N)CC2=CC=NC=C2)SC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N7O2S/c1-13(2)18-19(30-16-5-3-4-15(10-16)27(28)29)26(12-14-6-8-23-9-7-14)17(25-18)11-24-20(21)22/h3-10,13H,11-12H2,1-2H3,(H4,21,22,24)