2-methyl-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoxaline

Systemtic Name: 2-methyl-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoxaline Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-quinoxaline CAS Name: 2-methyl-3-[[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]quinoxaline IUPAC Name: 2-methyl-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoxaline Traditional Name: 2-[[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3-methyl-quinoxaline Formula: C21H19N5S MolecularWeight: 373.47406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3CC=C)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3CC=C)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5S/c1-3-13-26-20(16-9-5-4-6-10-16)24-25-21(26)27-14-19-15(2)22-17-11-7-8-12-18(17)23-19/h3-12H,1,13-14H2,2H3