[2,4-dinitro-3-(pentan-3-ylamino)-6-propan-2-yl-phenyl]methyl thiocyanate

Systemtic Name: [2,4-dinitro-3-(pentan-3-ylamino)-6-propan-2-yl-phenyl]methyl thiocyanate Openeye Name: [3-(1-ethylpropylamino)-6-isopropyl-2,4-dinitro-phenyl]methyl thiocyanate CAS Name: thiocyanic acid [2,4-dinitro-3-(pentan-3-ylamino)-6-propan-2-ylphenyl]methyl ester IUPAC Name: [2,4-dinitro-3-(pentan-3-ylamino)-6-propan-2-ylphenyl]methyl thiocyanate Traditional Name: thiocyanic acid [3-(1-ethylpropylamino)-6-isopropyl-2,4-dinitro-benzyl] ester Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])CSC#N)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])CSC#N)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O4S/c1-5-11(6-2)18-15-14(19(21)22)7-12(10(3)4)13(8-25-9-17)16(15)20(23)24/h7,10-11,18H,5-6,8H2,1-4H3