2-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]-1,2,4-triazole-3-thione CAS Name: 2-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[methyl-[(2-nitrophenyl)methyl]amino]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[methyl-(2-nitrobenzyl)amino]methyl]-1,2,4-triazole-3-thione Formula: C14H17N5O2S MolecularWeight: 319.38208

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1[N+](=O)[O-])CN2C(=S)N(C=N2)CC=C

Isomeric SMILES

CN(CC1=CC=CC=C1[N+](=O)[O-])CN2C(=S)N(C=N2)CC=C

InChI

InChI=1S/C14H17N5O2S/c1-3-8-17-10-15-18(14(17)22)11-16(2)9-12-6-4-5-7-13(12)19(20)21/h3-7,10H,1,8-9,11H2,2H3