4-[1-(3-azanylpropyl)indol-3-yl]-3-(1-benzothiophen-3-yl)-2-oxidanylidene-1H-imidazole-5-carbonitrile; ethanoic acid

Systemtic Name: 4-[1-(3-azanylpropyl)indol-3-yl]-3-(1-benzothiophen-3-yl)-2-oxidanylidene-1H-imidazole-5-carbonitrile; ethanoic acid Openeye Name: acetic acid; 4-[1-(3-aminopropyl)indol-3-yl]-3-(benzothiophen-3-yl)-2-oxo-1H-imidazole-5-carbonitrile CAS Name: acetic acid; 4-[1-(3-aminopropyl)-3-indolyl]-3-(1-benzothiophen-3-yl)-2-oxo-1H-imidazole-5-carbonitrile IUPAC Name: acetic acid; 4-[1-(3-aminopropyl)indol-3-yl]-3-(1-benzothiophen-3-yl)-2-oxo-1H-imidazole-5-carbonitrile Traditional Name: acetic acid; 5-[1-(3-aminopropyl)indol-3-yl]-1-(benzothiophen-3-yl)-2-keto-4-imidazoline-4-carbonitrile Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C2C(=C1)C(=CN2CCCN)C3=C(NC(=O)N3C4=CSC5=CC=CC=C54)C#N

Isomeric SMILES

CC(=O)O.C1=CC=C2C(=C1)C(=CN2CCCN)C3=C(NC(=O)N3C4=CSC5=CC=CC=C54)C#N

InChI

InChI=1S/C23H19N5OS.C2H4O2/c24-10-5-11-27-13-17(15-6-1-3-8-19(15)27)22-18(12-25)26-23(29)28(22)20-14-30-21-9-4-2-7-16(20)21;1-2(3)4/h1-4,6-9,13-14H,5,10-11,24H2,(H,26,29);1H3,(H,3,4)