4-(2-methylphenyl)-3-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazole

Systemtic Name: 4-(2-methylphenyl)-3-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazole Openeye Name: 4-(o-tolyl)-3-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazole CAS Name: 4-(2-methylphenyl)-3-phenyl-5-(prop-2-ynylthio)-1,2,4-triazole IUPAC Name: 4-(2-methylphenyl)-3-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazole Traditional Name: 4-(o-tolyl)-3-phenyl-5-(propargylthio)-1,2,4-triazole Formula: C18H15N3S MolecularWeight: 305.3968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC#C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC#C)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3S/c1-3-13-22-18-20-19-17(15-10-5-4-6-11-15)21(18)16-12-8-7-9-14(16)2/h1,4-12H,13H2,2H3