2-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[5-(4-methoxyphenyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[[5-(4-methoxyphenyl)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[[5-(4-methoxyphenyl)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]-5-nitro-benzonitrile Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC3CCCO3)SC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC3CCCO3)SC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H19N5O4S/c1-29-17-7-4-14(5-8-17)20-23-24-21(25(20)13-18-3-2-10-30-18)31-19-9-6-16(26(27)28)11-15(19)12-22/h4-9,11,18H,2-3,10,13H2,1H3