(3Z)-3-[4-cyclopropyl-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole

Systemtic Name: (3Z)-3-[4-cyclopropyl-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: (3Z)-3-[4-cyclopropyl-3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole CAS Name: (3Z)-3-[4-cyclopropyl-3-[(2-methoxy-5-nitrophenyl)methylthio]-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: (3Z)-3-[4-cyclopropyl-3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: (3Z)-3-[4-cyclopropyl-3-[(2-methoxy-5-nitro-benzyl)thio]-1H-1,2,4-triazol-5-ylidene]indole Formula: C21H19N5O3S MolecularWeight: 421.47226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5CC5

InChI

InChI=1S/C21H19N5O3S/c1-29-19-9-8-15(26(27)28)10-13(19)12-30-21-24-23-20(25(21)14-6-7-14)17-11-22-18-5-3-2-4-16(17)18/h2-5,8-11,14,23H,6-7,12H2,1H3/b20-17-