4-[[4-(5-methyl-4-nitro-thiophen-2-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(5-methyl-4-nitro-thiophen-2-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-methyl-4-nitro-thiophene-2-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-methyl-4-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-methyl-4-nitrothiophene-2-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-methyl-4-nitro-thiophene-2-carbonyl)piperazino]methyl]benzonitrile Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S/c1-13-16(22(24)25)10-17(26-13)18(23)21-8-6-20(7-9-21)12-15-4-2-14(11-19)3-5-15/h2-5,10H,6-9,12H2,1H3