(E)-3-(3-methylthiophen-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-methylthiophen-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-methyl-2-thienyl)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(3-methyl-2-thiophenyl)-2-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-methylthiophen-2-yl)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-3-(3-methyl-2-thienyl)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]acrylonitrile Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C(C#N)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC=C1)/C=C(\C#N)/C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S/c1-14-6-11-27-18(14)12-15(13-20)19(24)22-9-7-21(8-10-22)16-2-4-17(5-3-16)23(25)26/h2-6,11-12H,7-10H2,1H3/b15-12+