4-[(Z)-2-(1-benzothiophen-2-yl)-2-pyrrolidin-1-yl-ethenyl]-6-chloranyl-2-methyl-5-nitro-pyrimidine

Systemtic Name: 4-[(Z)-2-(1-benzothiophen-2-yl)-2-pyrrolidin-1-yl-ethenyl]-6-chloranyl-2-methyl-5-nitro-pyrimidine Openeye Name: 4-[(Z)-2-(benzothiophen-2-yl)-2-pyrrolidin-1-yl-vinyl]-6-chloro-2-methyl-5-nitro-pyrimidine CAS Name: 4-[(Z)-2-(1-benzothiophen-2-yl)-2-(1-pyrrolidinyl)ethenyl]-6-chloro-2-methyl-5-nitropyrimidine IUPAC Name: 4-[(Z)-2-(1-benzothiophen-2-yl)-2-pyrrolidin-1-ylethenyl]-6-chloro-2-methyl-5-nitropyrimidine Traditional Name: 4-[(Z)-2-(benzothiophen-2-yl)-2-pyrrolidino-vinyl]-6-chloro-2-methyl-5-nitro-pyrimidine Formula: C19H17ClN4O2S MolecularWeight: 400.88188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])C=C(C2=CC3=CC=CC=C3S2)N4CCCC4

Isomeric SMILES

CC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])/C=C(/C2=CC3=CC=CC=C3S2)\N4CCCC4

InChI

InChI=1S/C19H17ClN4O2S/c1-12-21-14(18(24(25)26)19(20)22-12)11-15(23-8-4-5-9-23)17-10-13-6-2-3-7-16(13)27-17/h2-3,6-7,10-11H,4-5,8-9H2,1H3/b15-11-