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

Systemtic Name: (E)-3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-nitrophenyl)prop-2-enenitrile Openeye Name: (E)-3-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-nitrophenyl)prop-2-enenitrile CAS Name: (E)-3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-3-(4-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-3-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-3-(4-nitrophenyl)acrylonitrile Formula: C18H13N5O2S2 MolecularWeight: 395.45812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SC(=CC#N)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2S/C(=C/C#N)/C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C18H13N5O2S2/c19-10-9-15(12-3-5-14(6-4-12)23(24)25)27-18-21-20-17(16-2-1-11-26-16)22(18)13-7-8-13/h1-6,9,11,13H,7-8H2/b15-9+