1-butyl-5-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3,4-tetrazole

Systemtic Name: 1-butyl-5-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3,4-tetrazole Openeye Name: 1-butyl-5-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole CAS Name: 1-butyl-5-[[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]tetrazole IUPAC Name: 1-butyl-5-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]tetrazole Traditional Name: 1-butyl-5-[[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]tetrazole Formula: C18H19N7S2 MolecularWeight: 397.52036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCCCN1C(=NN=N1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C18H19N7S2/c1-2-3-11-24-16(19-22-23-24)13-27-18-21-20-17(15-10-7-12-26-15)25(18)14-8-5-4-6-9-14/h4-10,12H,2-3,11,13H2,1H3