5-(2-methylpropyl)-3-(triphenylmethyl)sulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(2-methylpropyl)-3-(triphenylmethyl)sulfanyl-1H-1,2,4-triazole Openeye Name: 5-isobutyl-3-tritylsulfanyl-1H-1,2,4-triazole CAS Name: 5-(2-methylpropyl)-3-[(triphenylmethyl)thio]-1H-1,2,4-triazole IUPAC Name: 5-(2-methylpropyl)-3-tritylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-isobutyl-3-(tritylthio)-1H-1,2,4-triazole Formula: C25H25N3S MolecularWeight: 399.5511

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=NN1)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=NC(=NN1)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3S/c1-19(2)18-23-26-24(28-27-23)29-25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19H,18H2,1-2H3,(H,26,27,28)