4-[[5-[1-(5-azanylpyridin-2-yl)ethyl]-3-methyl-1H-pyrrol-2-yl]carbonyl]thiobenzaldehyde

Systemtic Name: 4-[[5-[1-(5-azanylpyridin-2-yl)ethyl]-3-methyl-1H-pyrrol-2-yl]carbonyl]thiobenzaldehyde Openeye Name: 4-[5-[1-(5-amino-2-pyridyl)ethyl]-3-methyl-1H-pyrrole-2-carbonyl]thiobenzaldehyde CAS Name: 4-[[5-[1-(5-amino-2-pyridinyl)ethyl]-3-methyl-1H-pyrrol-2-yl]-oxomethyl]thiobenzaldehyde IUPAC Name: 4-[5-[1-(5-aminopyridin-2-yl)ethyl]-3-methyl-1H-pyrrole-2-carbonyl]thiobenzaldehyde Traditional Name: 4-[5-[1-(5-amino-2-pyridyl)ethyl]-3-methyl-1H-pyrrole-2-carbonyl]thiobenzaldehyde Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1)C(C)C2=NC=C(C=C2)N)C(=O)C3=CC=C(C=C3)C=S

Isomeric SMILES

CC1=C(NC(=C1)C(C)C2=NC=C(C=C2)N)C(=O)C3=CC=C(C=C3)C=S

InChI

InChI=1S/C20H19N3OS/c1-12-9-18(13(2)17-8-7-16(21)10-22-17)23-19(12)20(24)15-5-3-14(11-25)4-6-15/h3-11,13,23H,21H2,1-2H3