3-[4-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]indole

Systemtic Name: 3-[4-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[3-[(E)-cinnamyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[4-methyl-3-[[(E)-3-phenylprop-2-enyl]thio]-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[4-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[3-[[(E)-cinnamyl]thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]indole Formula: C20H18N4S MolecularWeight: 346.44872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC=CC4=CC=CC=C4

Isomeric SMILES

CN1C(=C2C=NC3=CC=CC=C32)NN=C1SC/C=C/C4=CC=CC=C4

InChI

InChI=1S/C20H18N4S/c1-24-19(17-14-21-18-12-6-5-11-16(17)18)22-23-20(24)25-13-7-10-15-8-3-2-4-9-15/h2-12,14,22H,13H2,1H3/b10-7+,19-17?