2-[3-(4-chlorophenyl)sulfanyl-2-methyl-4-pyrazin-2-yl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-4-pyrazin-2-yl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-4-pyrazin-2-yl-indol-1-yl]acetic acid CAS Name: 2-[3-[(4-chlorophenyl)thio]-2-methyl-4-(2-pyrazinyl)-1-indolyl]acetic acid IUPAC Name: 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-4-pyrazin-2-ylindol-1-yl]acetic acid Traditional Name: 2-[3-[(4-chlorophenyl)thio]-2-methyl-4-pyrazin-2-yl-indol-1-yl]acetic acid Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC=C2N1CC(=O)O)C3=NC=CN=C3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C2=C(C=CC=C2N1CC(=O)O)C3=NC=CN=C3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN3O2S/c1-13-21(28-15-7-5-14(22)6-8-15)20-16(17-11-23-9-10-24-17)3-2-4-18(20)25(13)12-19(26)27/h2-11H,12H2,1H3,(H,26,27)