[azanyl-[(4-ethoxycarbonyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)sulfanyl]methylidene]azanium

Systemtic Name: [azanyl-[(4-ethoxycarbonyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)sulfanyl]methylidene]azanium Openeye Name: [amino-[(4-ethoxycarbonyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)sulfanyl]methylene]ammonium CAS Name: [amino-[(4-ethoxycarbonyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)thio]methylidene]ammonium IUPAC Name: [amino-[(4-ethoxycarbonyl-5-methyl-3-phenyl-1H-pyrrol-2-yl)sulfanyl]methylidene]azanium Traditional Name: [amino-[(4-carbethoxy-5-methyl-3-phenyl-1H-pyrrol-2-yl)thio]methylene]ammonium Formula: C15H18N3O2S+ MolecularWeight: 304.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)SC(=[NH2+])N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)SC(=[NH2+])N)C

InChI

InChI=1S/C15H17N3O2S/c1-3-20-14(19)11-9(2)18-13(21-15(16)17)12(11)10-7-5-4-6-8-10/h4-8,18H,3H2,1-2H3,(H3,16,17)/p+1