4-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propylamino]-3-nitro-benzaldehyde

Systemtic Name: 4-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propylamino]-3-nitro-benzaldehyde Openeye Name: 4-[3-(4-isobutyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]-3-nitro-benzaldehyde CAS Name: 4-[3-[4-(2-methylpropyl)-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]-3-nitrobenzaldehyde IUPAC Name: 4-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propylamino]-3-nitrobenzaldehyde Traditional Name: 4-[3-[4-isobutyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]-3-nitro-benzaldehyde Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SC)CCCNC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C(=NN=C1SC)CCCNC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O3S/c1-12(2)10-21-16(19-20-17(21)26-3)5-4-8-18-14-7-6-13(11-23)9-15(14)22(24)25/h6-7,9,11-12,18H,4-5,8,10H2,1-3H3