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

Systemtic Name: [2-methyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methanol Openeye Name: [4-isopropyl-2-methyl-5-(3-nitrophenyl)sulfanyl-1-(4-pyridylmethyl)pyrrol-3-yl]methanol CAS Name: [2-methyl-5-[(3-nitrophenyl)thio]-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolyl]methanol IUPAC Name: [2-methyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methanol Traditional Name: [4-isopropyl-2-methyl-5-[(3-nitrophenyl)thio]-1-(4-pyridylmethyl)pyrrol-3-yl]methanol Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=NC=C2)SC3=CC=CC(=C3)[N+](=O)[O-])C(C)C)CO

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=NC=C2)SC3=CC=CC(=C3)[N+](=O)[O-])C(C)C)CO

InChI

InChI=1S/C21H23N3O3S/c1-14(2)20-19(13-25)15(3)23(12-16-7-9-22-10-8-16)21(20)28-18-6-4-5-17(11-18)24(26)27/h4-11,14,25H,12-13H2,1-3H3