(E)-1-[4-[(5-nitroindazol-1-yl)methyl]piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[(5-nitroindazol-1-yl)methyl]piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-[(5-nitroindazol-1-yl)methyl]piperazin-1-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(5-nitro-1-indazolyl)methyl]-1-piperazinyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[4-[(5-nitroindazol-1-yl)methyl]piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-[(5-nitroindazol-1-yl)methyl]piperazino]-3-(2-thienyl)prop-2-en-1-one Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2)C(=O)C=CC4=CC=CS4

Isomeric SMILES

C1CN(CCN1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2)C(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C19H19N5O3S/c25-19(6-4-17-2-1-11-28-17)22-9-7-21(8-10-22)14-23-18-5-3-16(24(26)27)12-15(18)13-20-23/h1-6,11-13H,7-10,14H2/b6-4+