4-(4-methylphenyl)-3,5-bis[(2-nitrophenyl)sulfanyl]-1,2,4-triazole

Systemtic Name: 4-(4-methylphenyl)-3,5-bis[(2-nitrophenyl)sulfanyl]-1,2,4-triazole Openeye Name: 3,5-bis[(2-nitrophenyl)sulfanyl]-4-(p-tolyl)-1,2,4-triazole CAS Name: 4-(4-methylphenyl)-3,5-bis[(2-nitrophenyl)thio]-1,2,4-triazole IUPAC Name: 4-(4-methylphenyl)-3,5-bis[(2-nitrophenyl)sulfanyl]-1,2,4-triazole Traditional Name: 3,5-bis[(2-nitrophenyl)thio]-4-(p-tolyl)-1,2,4-triazole Formula: C21H15N5O4S2 MolecularWeight: 465.5049

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC3=CC=CC=C3[N+](=O)[O-])SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC3=CC=CC=C3[N+](=O)[O-])SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O4S2/c1-14-10-12-15(13-11-14)24-20(31-18-8-4-2-6-16(18)25(27)28)22-23-21(24)32-19-9-5-3-7-17(19)26(29)30/h2-13H,1H3