1-[(E)-4-methyl-5-phenyl-pent-2-en-3-yl]sulfanyl-4-nitro-benzene

Systemtic Name: 1-[(E)-4-methyl-5-phenyl-pent-2-en-3-yl]sulfanyl-4-nitro-benzene Openeye Name: 1-[(E)-1-(1-methyl-2-phenyl-ethyl)prop-1-enyl]sulfanyl-4-nitro-benzene CAS Name: 1-[[(E)-4-methyl-5-phenylpent-2-en-3-yl]thio]-4-nitrobenzene IUPAC Name: 1-[(E)-4-methyl-5-phenylpent-2-en-3-yl]sulfanyl-4-nitrobenzene Traditional Name: 1-[[(E)-1-(1-methyl-2-phenyl-ethyl)prop-1-enyl]thio]-4-nitro-benzene Formula: C18H19NO2S MolecularWeight: 313.41396

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C(C)CC1=CC=CC=C1)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C/C=C(\C(C)CC1=CC=CC=C1)/SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO2S/c1-3-18(14(2)13-15-7-5-4-6-8-15)22-17-11-9-16(10-12-17)19(20)21/h3-12,14H,13H2,1-2H3/b18-3+