(E)-3-(4-nitrophenyl)-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enenitrile

Systemtic Name: (E)-3-(4-nitrophenyl)-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enenitrile Openeye Name: (E)-3-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-nitrophenyl)prop-2-enenitrile CAS Name: (E)-3-(4-nitrophenyl)-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-2-propenenitrile IUPAC Name: (E)-3-(4-nitrophenyl)-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enenitrile Traditional Name: (E)-3-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3-(4-nitrophenyl)acrylonitrile Formula: C20H15N5O2S MolecularWeight: 389.4304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC(=CC#N)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1S/C(=C/C#N)/C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H15N5O2S/c1-2-14-24-19(16-6-4-3-5-7-16)22-23-20(24)28-18(12-13-21)15-8-10-17(11-9-15)25(26)27/h2-12H,1,14H2/b18-12+